2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide

C21H24Cl2N2O — CID 129152159

IUPAC2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide
SMILESCN1CCCCC[C@H]1[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C21H24Cl2N2O/c1-25-14-7-3-6-13-18(25)20(15-9-4-2-5-10-15)24-21(26)16-11-8-12-17(22)19(16)23/h2,4-5,8-12,18,20H,3,6-7,13-14H2,1H3,(H,24,26)/t18-,20-/m0/s1
InChIKeyPRYDTJHNVSBUFV-ICSRJNTNSA-N
MW391.34 g/mol
LogP5.34
Rot. Bonds4

About 2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide

2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide (PubChem CID 129152159) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is 2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide
PubChem CID129152159
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC Name2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide
SMILESCN1CCCCC[C@H]1[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C21H24Cl2N2O/c1-25-14-7-3-6-13-18(25)20(15-9-4-2-5-10-15)24-21(26)16-11-8-12-17(22)19(16)23/h2,4-5,8-12,18,20H,3,6-7,13-14H2,1H3,(H,24,26)/t18-,20-/m0/s1
InChIKeyPRYDTJHNVSBUFV-ICSRJNTNSA-N
XLogP5.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dichloro-N-[(S)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide
CID 67165261
2,5-dichloro-N-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]thiophene-3-carboxamide
CID 11339141
4-amino-3,5-dichloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]benzamide;hydrochloride
CID 67165144
N-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(phenyl)methyl]-2-chloro-3-methoxybenzamide
CID 68855859
[3-[[[2-chloro-3-(trifluoromethyl)benzoyl]amino]-[(2S)-1-methylpiperidin-2-yl]methyl]phenyl] trifluoromethanesulfonate
CID 87727068
2-chloro-N-[(1-methylpiperidin-2-yl)-thiophen-3-ylmethyl]-3-(trifluoromethyl)benzamide
CID 11408387
2-chloro-N-[(S)-[(2R,6R)-1,6-dimethylpiperidin-2-yl]-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 11998344
4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide
CID 69104804
(1S)-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]-1-phenylmethanamine
CID 67869065
4-amino-3,3,5,5-tetrachloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]cyclohexene-1-carboxamide
CID 67165228
N-[(R)-[(3R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]-phenylmethyl]-2-chloro-3-(trifluoromethyl)benzamide;hydrochloride
CID 24762225
2-chloro-N-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl(phenyl)methyl]-3-(trifluoromethyl)benzamide
CID 24984765

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide (CID 129152159) is 2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide is CN1CCCCC[C@H]1[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of 2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide?
The InChIKey is PRYDTJHNVSBUFV-ICSRJNTNSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c1-25-14-7-3-6-13-18(25)20(15-9-4-2-5-10-15)24-21(26)16-11-8-12-17(22)19(16)23/h2,4-5,8-12,18,20H,3,6-7,13-14H2,1H3,(H,24,26)/t18-,20-/m0/s1.
What are the key properties of 2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide?
2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide has a molecular weight of 391.34 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide is sourced from PubChem (CID 129152159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).