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

C20H21FN2O2 — CID 109056732

IUPAC3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C20H21FN2O2/c21-17-9-6-10-18(14-17)22-19(24)15-7-5-8-16(13-15)20(25)23-11-3-1-2-4-12-23/h5-10,13-14H,1-4,11-12H2,(H,22,24)
InChIKeyQLFZSOSRJPPGEA-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.09
Rot. Bonds3

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

3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide (PubChem CID 109056732) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide
PubChem CID109056732
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C20H21FN2O2/c21-17-9-6-10-18(14-17)22-19(24)15-7-5-8-16(13-15)20(25)23-11-3-1-2-4-12-23/h5-10,13-14H,1-4,11-12H2,(H,22,24)
InChIKeyQLFZSOSRJPPGEA-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051768
3-fluoro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2971545
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
3-(azepane-1-carbonyl)-N-(3-chloro-4-fluorophenyl)benzamide
CID 109056705
1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 6467171
3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1055003
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052099
3-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)benzamide
CID 109056704
N-(3-fluorophenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094901
N-[3-(azepane-1-carbonyl)phenyl]-3-nitrobenzamide
CID 26159248

Frequently Asked Questions

What is the IUPAC name of 3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide?
The IUPAC name of 3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide (CID 109056732) is 3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide is O=C(Nc1cccc(F)c1)c1cccc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of 3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide?
The InChIKey is QLFZSOSRJPPGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-17-9-6-10-18(14-17)22-19(24)15-7-5-8-16(13-15)20(25)23-11-3-1-2-4-12-23/h5-10,13-14H,1-4,11-12H2,(H,22,24).
What are the key properties of 3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide?
3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide has a molecular weight of 340.40 g/mol, XLogP of 4.09, 3 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-(3-fluorophenyl)benzamide is sourced from PubChem (CID 109056732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).