3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]butanamide

C16H22FNO2 — CID 111464091

IUPAC3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]butanamide
SMILESCC(CC(=O)NCC1CCCC1O)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c1-11(12-5-7-14(17)8-6-12)9-16(20)18-10-13-3-2-4-15(13)19/h5-8,11,13,15,19H,2-4,9-10H2,1H3,(H,18,20)
InChIKeyTYPILNASJIVABJ-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.60
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]butanamide

3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]butanamide (PubChem CID 111464091) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]butanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]butanamide
PubChem CID111464091
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]butanamide
SMILESCC(CC(=O)NCC1CCCC1O)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c1-11(12-5-7-14(17)8-6-12)9-16(20)18-10-13-3-2-4-15(13)19/h5-8,11,13,15,19H,2-4,9-10H2,1H3,(H,18,20)
InChIKeyTYPILNASJIVABJ-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyclopentylpropyl)-3-(4-fluorophenyl)butanamide
CID 55923475
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 120944779
3-acetamido-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111471088
3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide
CID 110901174
3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide
CID 113463843
4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid
CID 99849251
(2S)-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-phenylpropanamide
CID 129445920
3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119461609
2-(6-fluoro-1H-indol-3-yl)-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 111464326
N-[(2-hydroxycyclohexyl)methyl]-3-pyrrol-1-ylbutanamide
CID 102554678
N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide
CID 81044042
(2R)-2-[3-(4-fluorophenyl)butanoylamino]propanoic acid
CID 119244525

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]butanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]butanamide (CID 111464091) is 3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]butanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]butanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]butanamide is CC(CC(=O)NCC1CCCC1O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]butanamide?
The InChIKey is TYPILNASJIVABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-11(12-5-7-14(17)8-6-12)9-16(20)18-10-13-3-2-4-15(13)19/h5-8,11,13,15,19H,2-4,9-10H2,1H3,(H,18,20).
What are the key properties of 3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]butanamide?
3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]butanamide has a molecular weight of 279.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]butanamide is sourced from PubChem (CID 111464091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).