4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide

C21H23ClN2O2 — CID 109047312

IUPAC4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C21H23ClN2O2/c22-19-8-4-3-7-18(19)15-23-20(25)16-9-11-17(12-10-16)21(26)24-13-5-1-2-6-14-24/h3-4,7-12H,1-2,5-6,13-15H2,(H,23,25)
InChIKeyUJKRUOATYNMSQO-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.29
Rot. Bonds4

About 4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide

4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide (PubChem CID 109047312) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide
PubChem CID109047312
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C21H23ClN2O2/c22-19-8-4-3-7-18(19)15-23-20(25)16-9-11-17(12-10-16)21(26)24-13-5-1-2-6-14-24/h3-4,7-12H,1-2,5-6,13-15H2,(H,23,25)
InChIKeyUJKRUOATYNMSQO-UHFFFAOYSA-N
XLogP4.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(azepane-1-carbonyl)phenyl]-3-[(2-chlorophenyl)methyl]urea
CID 52667072
4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109047377
N-[(2-chlorophenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
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N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2710119
1-(4-chlorobenzoyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
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[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]boronic acid
CID 138991708
N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide
CID 17199159
N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109082968
2-(2-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712323
1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043860
[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-phenylmethanone
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N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221

Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide?
The IUPAC name of 4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide (CID 109047312) is 4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide.
What is the SMILES notation for 4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide?
The canonical SMILES for 4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide is O=C(NCc1ccccc1Cl)c1ccc(C(=O)N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide?
The InChIKey is UJKRUOATYNMSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-19-8-4-3-7-18(19)15-23-20(25)16-9-11-17(12-10-16)21(26)24-13-5-1-2-6-14-24/h3-4,7-12H,1-2,5-6,13-15H2,(H,23,25).
What are the key properties of 4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide?
4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide has a molecular weight of 370.88 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide is sourced from PubChem (CID 109047312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).