N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide

C15H18FNO2 — CID 110477392

IUPACN-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C15H18FNO2/c1-11(18)10-14(19)17-15(8-2-3-9-15)12-4-6-13(16)7-5-12/h4-7H,2-3,8-10H2,1H3,(H,17,19)
InChIKeyVOGBUUAFWLWKGM-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.69
Rot. Bonds4

About N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide

N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide (PubChem CID 110477392) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide
PubChem CID110477392
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C15H18FNO2/c1-11(18)10-14(19)17-15(8-2-3-9-15)12-4-6-13(16)7-5-12/h4-7H,2-3,8-10H2,1H3,(H,17,19)
InChIKeyVOGBUUAFWLWKGM-UHFFFAOYSA-N
XLogP2.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[1-(4-fluorophenyl)cyclopentyl]acetamide;hydrochloride
CID 119305589
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide
CID 110477390
N-[1-(4-fluorophenyl)cyclopropyl]-2-(methylamino)acetamide
CID 110460355
N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide
CID 71684215
5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid
CID 110442660
N-[1-(4-fluorophenyl)cyclopentyl]-2-methyl-3-(methylamino)propanamide
CID 119752714
1-butan-2-yl-3-[1-(4-fluorophenyl)cyclopentyl]urea
CID 110490855
N-[1-(4-fluorophenyl)cyclobutyl]cyclopropanecarboxamide
CID 47408173
2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide
CID 166403727
N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide
CID 110441487
4-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopentyl]benzamide;hydrochloride
CID 119305591

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide (CID 110477392) is N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide is CC(=O)CC(=O)NC1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide?
The InChIKey is VOGBUUAFWLWKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-11(18)10-14(19)17-15(8-2-3-9-15)12-4-6-13(16)7-5-12/h4-7H,2-3,8-10H2,1H3,(H,17,19).
What are the key properties of N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide?
N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide has a molecular weight of 263.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide is sourced from PubChem (CID 110477392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).