CHEMBL1784165
C₂₂H₂₃ClN₂O₂·382.900 g/mol·CID 44479929
IUPAC: 3-chloro-N-cyclopropyl-5-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide
Also known as: SCHEMBL5632200, BDBM50418600
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
382.900g/mol
Exact Mass
382.144806Da
Monoisotopic Mass
382.144806Da
XLogP
4.4
Polar Surface Area
58.2Ų
Complexity
553
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
2
Rotatable Bonds
6
Heavy Atoms
27
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 382.9 g/mol
MW ≤ 500
✓ 4.4
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C22H23ClN2O2/c1-13-19(10-17(11-20(13)23)22(27)25-18-8-9-18)15-4-6-16(7-5-15)21(26)24-12-14-2-3-14/h4-7,10-11,14,18H,2-3,8-9,12H2,1H3,(H,24,26)(H,25,27)
Isomers8 compounds with formula C₂₂H₂₃ClN₂O₂
ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate
CID 3957 · 382.9 g/mol
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 122199179 · 382.9 g/mol
2-[2-[(benzylamino)methyl]phenoxy]-N-phenylacetamide;hydrochloride
CID 2962532 · 382.9 g/mol
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-naphthalen-2-ylcarbamate
CID 11653844 · 382.9 g/mol
6-(6-aminohexyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride
CID 16221320 · 382.9 g/mol
6-[4-chloro-3-(cyclopropylmethoxy)phenyl]-2-methyl-7-propan-2-yl-3H-quinazolin-4-one
CID 135444669 · 382.9 g/mol
ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59047051 · 382.9 g/mol
2-[[2-(4-chlorophenyl)-6-methoxyquinolin-8-yl]amino]cyclohexan-1-ol
CID 289745 · 382.9 g/mol