2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide

C16H22FNO2 — CID 110427438

IUPAC2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide
SMILESCCC(C(=O)NCC1(O)CCCC1)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c1-2-14(12-5-7-13(17)8-6-12)15(19)18-11-16(20)9-3-4-10-16/h5-8,14,20H,2-4,9-11H2,1H3,(H,18,19)
InChIKeyOKGFJFVGLUYHHA-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.74
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide

2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide (PubChem CID 110427438) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide
PubChem CID110427438
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide
SMILESCCC(C(=O)NCC1(O)CCCC1)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO2/c1-2-14(12-5-7-13(17)8-6-12)15(19)18-11-16(20)9-3-4-10-16/h5-8,14,20H,2-4,9-11H2,1H3,(H,18,19)
InChIKeyOKGFJFVGLUYHHA-UHFFFAOYSA-N
XLogP2.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide
CID 115643598
2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]acetic acid
CID 166245308
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111109592
4-[2-(4-fluorophenyl)butanoylamino]butanoic acid
CID 120513410
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide
CID 103970144
N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide
CID 119404563
3-[2-(4-fluorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 120528828
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylbutanamide
CID 114757941
1-[[1-(4-fluorophenyl)pentylamino]methyl]cyclopentan-1-ol
CID 65105165
N-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide
CID 90548192
1-[cyclobutyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438682
2-[2-(4-fluorophenyl)butanoylamino]butanoic acid
CID 120523263

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide (CID 110427438) is 2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide is CCC(C(=O)NCC1(O)CCCC1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide?
The InChIKey is OKGFJFVGLUYHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-2-14(12-5-7-13(17)8-6-12)15(19)18-11-16(20)9-3-4-10-16/h5-8,14,20H,2-4,9-11H2,1H3,(H,18,19).
What are the key properties of 2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide?
2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide has a molecular weight of 279.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide is sourced from PubChem (CID 110427438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).