N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide

C22H24N2O3 — CID 109056722

IUPACN-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)N3CCCCCC3)c2)c1
InChIInChI=1S/C22H24N2O3/c1-16(25)17-8-7-11-20(15-17)23-21(26)18-9-6-10-19(14-18)22(27)24-12-4-2-3-5-13-24/h6-11,14-15H,2-5,12-13H2,1H3,(H,23,26)
InChIKeyPHMLLMDAGYMLAS-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.16
Rot. Bonds4

About N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide

N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide (PubChem CID 109056722) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
PubChem CID109056722
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)N3CCCCCC3)c2)c1
InChIInChI=1S/C22H24N2O3/c1-16(25)17-8-7-11-20(15-17)23-21(26)18-9-6-10-19(14-18)22(27)24-12-4-2-3-5-13-24/h6-11,14-15H,2-5,12-13H2,1H3,(H,23,26)
InChIKeyPHMLLMDAGYMLAS-UHFFFAOYSA-N
XLogP4.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide
CID 109090775
3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide
CID 109056732
N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051768
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
1-[3-(azetidine-1-carbonyl)phenyl]ethanone
CID 146014974
3-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)benzamide
CID 109056704
N-[3-(azepane-1-carbonyl)phenyl]-3-nitrobenzamide
CID 26159248
3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 55862321
methyl 3-[[4-(azepane-1-carbonyl)benzoyl]amino]benzoate
CID 109049175
3-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 109056729
3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052099
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053601

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide?
The IUPAC name of N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide (CID 109056722) is N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide is CC(=O)c1cccc(NC(=O)c2cccc(C(=O)N3CCCCCC3)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide?
The InChIKey is PHMLLMDAGYMLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16(25)17-8-7-11-20(15-17)23-21(26)18-9-6-10-19(14-18)22(27)24-12-4-2-3-5-13-24/h6-11,14-15H,2-5,12-13H2,1H3,(H,23,26).
What are the key properties of N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide?
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide has a molecular weight of 364.45 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide is sourced from PubChem (CID 109056722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).