4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide

C20H20F2N2O2 — CID 109049185

IUPAC4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C20H20F2N2O2/c21-16-9-10-18(17(22)13-16)23-19(25)14-5-7-15(8-6-14)20(26)24-11-3-1-2-4-12-24/h5-10,13H,1-4,11-12H2,(H,23,25)
InChIKeyFHLWTENSRRPJBD-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.23
Rot. Bonds3

About 4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide

4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide (PubChem CID 109049185) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide
PubChem CID109049185
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C20H20F2N2O2/c21-16-9-10-18(17(22)13-16)23-19(25)14-5-7-15(8-6-14)20(26)24-11-3-1-2-4-12-24/h5-10,13H,1-4,11-12H2,(H,23,25)
InChIKeyFHLWTENSRRPJBD-UHFFFAOYSA-N
XLogP4.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)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

1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
4-(piperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109044714
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 1355774
4-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092338
4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049129
N-(2,5-dichlorophenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044703
N-(2,4-difluorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 47109120
3-fluoro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2971545
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide
CID 110426763
N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide
CID 23819123

Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide?
The IUPAC name of 4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide (CID 109049185) is 4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide.
What is the SMILES notation for 4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide?
The canonical SMILES for 4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide is O=C(Nc1ccc(F)cc1F)c1ccc(C(=O)N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide?
The InChIKey is FHLWTENSRRPJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c21-16-9-10-18(17(22)13-16)23-19(25)14-5-7-15(8-6-14)20(26)24-11-3-1-2-4-12-24/h5-10,13H,1-4,11-12H2,(H,23,25).
What are the key properties of 4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide?
4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide has a molecular weight of 358.39 g/mol, XLogP of 4.23, 3 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-(2,4-difluorophenyl)benzamide is sourced from PubChem (CID 109049185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).