N-[4-(azepane-1-carbonyl)phenyl]benzamide

C20H22N2O2 — CID 17153241

IUPACN-[4-(azepane-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c23-19(16-8-4-3-5-9-16)21-18-12-10-17(11-13-18)20(24)22-14-6-1-2-7-15-22/h3-5,8-13H,1-2,6-7,14-15H2,(H,21,23)
InChIKeyJYZONJJFGNYSLR-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.96
Rot. Bonds3

About N-[4-(azepane-1-carbonyl)phenyl]benzamide

N-[4-(azepane-1-carbonyl)phenyl]benzamide (PubChem CID 17153241) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[4-(azepane-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(azepane-1-carbonyl)phenyl]benzamide
PubChem CID17153241
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[4-(azepane-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c23-19(16-8-4-3-5-9-16)21-18-12-10-17(11-13-18)20(24)22-14-6-1-2-7-15-22/h3-5,8-13H,1-2,6-7,14-15H2,(H,21,23)
InChIKeyJYZONJJFGNYSLR-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532549
4-phenoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532346
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
N-[4-(1,4-diazepane-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119417229
3-fluoro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2971545
N-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989
3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2970403
3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 6939897
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]benzamide?
The IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]benzamide (CID 17153241) is N-[4-(azepane-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for N-[4-(azepane-1-carbonyl)phenyl]benzamide?
The canonical SMILES for N-[4-(azepane-1-carbonyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(azepane-1-carbonyl)phenyl]benzamide?
The InChIKey is JYZONJJFGNYSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-19(16-8-4-3-5-9-16)21-18-12-10-17(11-13-18)20(24)22-14-6-1-2-7-15-22/h3-5,8-13H,1-2,6-7,14-15H2,(H,21,23).
What are the key properties of N-[4-(azepane-1-carbonyl)phenyl]benzamide?
N-[4-(azepane-1-carbonyl)phenyl]benzamide has a molecular weight of 322.41 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepane-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 17153241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).