2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide

C15H21FN2O — CID 46630888

IUPAC2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(F)c1)N1CCCCCC1
InChIInChI=1S/C15H21FN2O/c1-12(18-9-4-2-3-5-10-18)15(19)17-14-8-6-7-13(16)11-14/h6-8,11-12H,2-5,9-10H2,1H3,(H,17,19)
InChIKeyKZUQOGXQSUXFGB-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.03
Rot. Bonds3

About 2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide

2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide (PubChem CID 46630888) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
PubChem CID46630888
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(F)c1)N1CCCCCC1
InChIInChI=1S/C15H21FN2O/c1-12(18-9-4-2-3-5-10-18)15(19)17-14-8-6-7-13(16)11-14/h6-8,11-12H,2-5,9-10H2,1H3,(H,17,19)
InChIKeyKZUQOGXQSUXFGB-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 9249876
(2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 28507016
N-cyclopropyl-2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 46681642
(2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30737874
N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
(2R)-N-(3-acetylphenyl)-2-piperidin-1-ylpropanamide
CID 8894791
(2R)-2-[4-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401574
N-(3-fluorophenyl)-2-[4-[1-(2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 60513033
(2R)-2-[4-[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401572
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 95352627
2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 119857243

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide?
The IUPAC name of 2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide (CID 46630888) is 2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide is CC(C(=O)Nc1cccc(F)c1)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide?
The InChIKey is KZUQOGXQSUXFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-12(18-9-4-2-3-5-10-18)15(19)17-14-8-6-7-13(16)11-14/h6-8,11-12H,2-5,9-10H2,1H3,(H,17,19).
What are the key properties of 2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide?
2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide has a molecular weight of 264.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 46630888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).