(2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide

C21H25ClN2O3 — CID 93076688

IUPAC(2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C21H25ClN2O3/c1-26-19-12-11-17(14-20(19)27-2)23-21(25)24-13-5-3-4-6-18(24)15-7-9-16(22)10-8-15/h7-12,14,18H,3-6,13H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyVUUSNBRWWFVOJL-GOSISDBHSA-N
MW388.90 g/mol
LogP5.51
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide

(2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide (PubChem CID 93076688) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide
PubChem CID93076688
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name(2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C21H25ClN2O3/c1-26-19-12-11-17(14-20(19)27-2)23-21(25)24-13-5-3-4-6-18(24)15-7-9-16(22)10-8-15/h7-12,14,18H,3-6,13H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyVUUSNBRWWFVOJL-GOSISDBHSA-N
XLogP5.51
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide 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

(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 124619097
(2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 51694814
(2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 51856535
(2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide
CID 1474768
N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)azepane-1-carboxamide
CID 50945546
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carboxamide
CID 51856616
methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 51855981
2-(4-chlorophenyl)-N-(5,6-dimethoxy-3-pyridinyl)azetidine-1-carboxamide
CID 136555141
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856038
(2R)-2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 94080965
2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 50747210

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide (CID 93076688) is (2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide is COc1ccc(NC(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide?
The InChIKey is VUUSNBRWWFVOJL-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-26-19-12-11-17(14-20(19)27-2)23-21(25)24-13-5-3-4-6-18(24)15-7-9-16(22)10-8-15/h7-12,14,18H,3-6,13H2,1-2H3,(H,23,25)/t18-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide?
(2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide is sourced from PubChem (CID 93076688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).