N-(cyclopentylmethyl)-4-(2-fluorophenyl)-4-oxobutanamide

C16H20FNO2 — CID 110627612

IUPACN-(cyclopentylmethyl)-4-(2-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccccc1F)NCC1CCCC1
InChIInChI=1S/C16H20FNO2/c17-14-8-4-3-7-13(14)15(19)9-10-16(20)18-11-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-11H2,(H,18,20)
InChIKeyOHJYMOHHIBJVDM-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.10
Rot. Bonds6

About N-(cyclopentylmethyl)-4-(2-fluorophenyl)-4-oxobutanamide

N-(cyclopentylmethyl)-4-(2-fluorophenyl)-4-oxobutanamide (PubChem CID 110627612) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-(2-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-(2-fluorophenyl)-4-oxobutanamide
PubChem CID110627612
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC NameN-(cyclopentylmethyl)-4-(2-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccccc1F)NCC1CCCC1
InChIInChI=1S/C16H20FNO2/c17-14-8-4-3-7-13(14)15(19)9-10-16(20)18-11-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-11H2,(H,18,20)
InChIKeyOHJYMOHHIBJVDM-UHFFFAOYSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide
CID 110627614
N-(cyclohexylmethyl)-3-(2-fluorophenyl)propanamide
CID 95899940
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
N-butyl-4-(2-fluorophenyl)-4-oxobutanamide
CID 110406683
4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110407748
4-(2-fluorophenyl)-4-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]butanamide
CID 110632616
4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide
CID 110622566
4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide
CID 110414975
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide
CID 110411259
2-cyclopentyloxy-1-(2-fluorophenyl)ethanone
CID 43799397
N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62660297

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-(2-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-(cyclopentylmethyl)-4-(2-fluorophenyl)-4-oxobutanamide (CID 110627612) is N-(cyclopentylmethyl)-4-(2-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(cyclopentylmethyl)-4-(2-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(cyclopentylmethyl)-4-(2-fluorophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccccc1F)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-4-(2-fluorophenyl)-4-oxobutanamide?
The InChIKey is OHJYMOHHIBJVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-14-8-4-3-7-13(14)15(19)9-10-16(20)18-11-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-11H2,(H,18,20).
What are the key properties of N-(cyclopentylmethyl)-4-(2-fluorophenyl)-4-oxobutanamide?
N-(cyclopentylmethyl)-4-(2-fluorophenyl)-4-oxobutanamide has a molecular weight of 277.34 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-(2-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 110627612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).