(2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide

C20H23ClN2O — CID 93076743

IUPAC(2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
SMILESCc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C20H23ClN2O/c1-15-10-12-16(13-11-15)19-9-3-2-6-14-23(19)20(24)22-18-8-5-4-7-17(18)21/h4-5,7-8,10-13,19H,2-3,6,9,14H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyHHOWJYFFCCIPRX-LJQANCHMSA-N
MW342.87 g/mol
LogP5.80
Rot. Bonds2

About (2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide

(2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide (PubChem CID 93076743) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is (2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
PubChem CID93076743
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name(2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
SMILESCc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C20H23ClN2O/c1-15-10-12-16(13-11-15)19-9-3-2-6-14-23(19)20(24)22-18-8-5-4-7-17(18)21/h4-5,7-8,10-13,19H,2-3,6,9,14H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyHHOWJYFFCCIPRX-LJQANCHMSA-N
XLogP5.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.87
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-(2-methylphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076709
N-(2-chlorophenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013090
(2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856141
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 53096340
(2R)-N-(2-chlorophenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
CID 92503171
(2R)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076835
(2S)-2-(4-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide
CID 51855647
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855965
N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746949
(2R)-N-(2-methoxyphenyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 41013165
(2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503100
2-(4-methylphenyl)-N-(2-phenylethyl)azepane-1-carboxamide
CID 53013117

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide?
The IUPAC name of (2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide (CID 93076743) is (2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide.
What is the SMILES notation for (2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide?
The canonical SMILES for (2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide is Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of (2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide?
The InChIKey is HHOWJYFFCCIPRX-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-15-10-12-16(13-11-15)19-9-3-2-6-14-23(19)20(24)22-18-8-5-4-7-17(18)21/h4-5,7-8,10-13,19H,2-3,6,9,14H2,1H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide?
(2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide has a molecular weight of 342.87 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide is sourced from PubChem (CID 93076743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).