3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide

C21H24N2O3 — CID 109056708

IUPAC3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C21H24N2O3/c1-26-19-12-5-4-11-18(19)22-20(24)16-9-8-10-17(15-16)21(25)23-13-6-2-3-7-14-23/h4-5,8-12,15H,2-3,6-7,13-14H2,1H3,(H,22,24)
InChIKeyQBHAUJUJJGXJLC-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.96
Rot. Bonds4

About 3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide

3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide (PubChem CID 109056708) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide
PubChem CID109056708
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C21H24N2O3/c1-26-19-12-5-4-11-18(19)22-20(24)16-9-8-10-17(15-16)21(25)23-13-6-2-3-7-14-23/h4-5,8-12,15H,2-3,6-7,13-14H2,1H3,(H,22,24)
InChIKeyQBHAUJUJJGXJLC-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide
CID 109055730
N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051991
2-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168435
3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055466
1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33342519
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide
CID 55639792
N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052045
N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859
N-[3-(azepane-1-carbonyl)phenyl]-3-bromo-4-methoxybenzamide
CID 26159299
N-(2-methoxyphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103826
N-(2-methoxyphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 38646202
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048994

Frequently Asked Questions

What is the IUPAC name of 3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide (CID 109056708) is 3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1cccc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of 3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide?
The InChIKey is QBHAUJUJJGXJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-19-12-5-4-11-18(19)22-20(24)16-9-8-10-17(15-16)21(25)23-13-6-2-3-7-14-23/h4-5,8-12,15H,2-3,6-7,13-14H2,1H3,(H,22,24).
What are the key properties of 3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide?
3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 109056708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).