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

C22H25ClN2O2 — CID 109055683

IUPAC3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C22H25ClN2O2/c23-20-10-8-17(9-11-20)12-13-24-21(26)18-6-5-7-19(16-18)22(27)25-14-3-1-2-4-15-25/h5-11,16H,1-4,12-15H2,(H,24,26)
InChIKeyZODOUFIYLMXSRT-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.33
Rot. Bonds5

About 3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide

3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide (PubChem CID 109055683) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide
PubChem CID109055683
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C22H25ClN2O2/c23-20-10-8-17(9-11-20)12-13-24-21(26)18-6-5-7-19(16-18)22(27)25-14-3-1-2-4-15-25/h5-11,16H,1-4,12-15H2,(H,24,26)
InChIKeyZODOUFIYLMXSRT-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109055680
N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052025
N-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide
CID 109052000
N-[2-(3-chlorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102553
N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide
CID 9217649
N-(3-methoxypropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109051970
1-N-[2-(4-chlorophenyl)ethyl]-3-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050914
3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055466
N-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109055423
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466

Frequently Asked Questions

What is the IUPAC name of 3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide?
The IUPAC name of 3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide (CID 109055683) is 3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide?
The canonical SMILES for 3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide is O=C(NCCc1ccc(Cl)cc1)c1cccc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of 3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide?
The InChIKey is ZODOUFIYLMXSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c23-20-10-8-17(9-11-20)12-13-24-21(26)18-6-5-7-19(16-18)22(27)25-14-3-1-2-4-15-25/h5-11,16H,1-4,12-15H2,(H,24,26).
What are the key properties of 3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide?
3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide has a molecular weight of 384.91 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide is sourced from PubChem (CID 109055683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).