N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide

C13H16FNO2 — CID 110470666

IUPACN-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO2/c1-9(16)8-12(17)15-13(2,3)10-4-6-11(14)7-5-10/h4-7H,8H2,1-3H3,(H,15,17)
InChIKeyQXDAFBRXKPYRNE-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.16
Rot. Bonds4

About N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide

N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide (PubChem CID 110470666) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide
PubChem CID110470666
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC NameN-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO2/c1-9(16)8-12(17)15-13(2,3)10-4-6-11(14)7-5-10/h4-7H,8H2,1-3H3,(H,15,17)
InChIKeyQXDAFBRXKPYRNE-UHFFFAOYSA-N
XLogP2.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.16
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-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118330
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)propan-2-yl]acetamide
CID 110443030
2-bromo-N-[2-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 12760511
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide
CID 61249393
N-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide
CID 110475476
N-[2-(4-methylphenyl)propan-2-yl]propanamide
CID 67588403
1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 110469730
1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea
CID 110469738
N-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide
CID 110469745
1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 113216228
2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide
CID 110440797
N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide
CID 110469721

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide?
The IUPAC name of N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide (CID 110470666) is N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide is CC(=O)CC(=O)NC(C)(C)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide?
The InChIKey is QXDAFBRXKPYRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9(16)8-12(17)15-13(2,3)10-4-6-11(14)7-5-10/h4-7H,8H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide?
N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide has a molecular weight of 237.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide is sourced from PubChem (CID 110470666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).