3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide

C21H29FN2O2 — CID 42699394

IUPAC3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide
SMILESO=C1NCCCCC1N(Cc1ccc(F)cc1)C(=O)CCC1CCCC1
InChIInChI=1S/C21H29FN2O2/c22-18-11-8-17(9-12-18)15-24(19-7-3-4-14-23-21(19)26)20(25)13-10-16-5-1-2-6-16/h8-9,11-12,16,19H,1-7,10,13-15H2,(H,23,26)
InChIKeyQVKKINVMRUVPRA-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.79
Rot. Bonds6

About 3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide

3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide (PubChem CID 42699394) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide
PubChem CID42699394
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC Name3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide
SMILESO=C1NCCCCC1N(Cc1ccc(F)cc1)C(=O)CCC1CCCC1
InChIInChI=1S/C21H29FN2O2/c22-18-11-8-17(9-12-18)15-24(19-7-3-4-14-23-21(19)26)20(25)13-10-16-5-1-2-6-16/h8-9,11-12,16,19H,1-7,10,13-15H2,(H,23,26)
InChIKeyQVKKINVMRUVPRA-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide 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

3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 42707007
2-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)benzamide
CID 42699399
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 26396690
N-[(4-ethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)dodecanamide
CID 42699388
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide
CID 5150826
N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide
CID 42699992
N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide
CID 42700000
N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)octanamide
CID 42707005
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 25325962
2-[(2S)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 25452555
N-[(3,4-dimethoxyphenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide
CID 42699373
2-(4-fluorophenyl)-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 26336442

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide?
The IUPAC name of 3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide (CID 42699394) is 3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide is O=C1NCCCCC1N(Cc1ccc(F)cc1)C(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide?
The InChIKey is QVKKINVMRUVPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c22-18-11-8-17(9-12-18)15-24(19-7-3-4-14-23-21(19)26)20(25)13-10-16-5-1-2-6-16/h8-9,11-12,16,19H,1-7,10,13-15H2,(H,23,26).
What are the key properties of 3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide?
3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide has a molecular weight of 360.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide is sourced from PubChem (CID 42699394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).