2-fluoro-4,4-dimethyl-3-oxo-N-phenylpentanamide

C13H16FNO2 — CID 10399263

IUPAC2-fluoro-4,4-dimethyl-3-oxo-N-phenylpentanamide
SMILESCC(C)(C)C(=O)C(F)C(=O)Nc1ccccc1
InChIInChI=1S/C13H16FNO2/c1-13(2,3)11(16)10(14)12(17)15-9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,15,17)
InChIKeyBYTBZXKEEXTXID-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.58
Rot. Bonds3

About 2-fluoro-4,4-dimethyl-3-oxo-N-phenylpentanamide

2-fluoro-4,4-dimethyl-3-oxo-N-phenylpentanamide (PubChem CID 10399263) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-fluoro-4,4-dimethyl-3-oxo-N-phenylpentanamide.

Molecular Properties

Compound Name2-fluoro-4,4-dimethyl-3-oxo-N-phenylpentanamide
PubChem CID10399263
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-fluoro-4,4-dimethyl-3-oxo-N-phenylpentanamide
SMILESCC(C)(C)C(=O)C(F)C(=O)Nc1ccccc1
InChIInChI=1S/C13H16FNO2/c1-13(2,3)11(16)10(14)12(17)15-9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,15,17)
InChIKeyBYTBZXKEEXTXID-UHFFFAOYSA-N
XLogP2.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.58
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

4-chloro-2-fluoro-3,3-dimethyl-N-phenylbutanamide
CID 121014852
(2R)-2-amino-N-phenylpropanamide
CID 10607114
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide
CID 79390383
2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide
CID 113457786
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
2-[(1-anilino-1-oxopropan-2-yl)amino]-2-methylpropanamide
CID 61219044
(2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide
CID 125141054
(2R)-2-chloro-3-oxo-N-phenylbutanamide
CID 737830
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
2-bromo-N-phenylpentanamide
CID 56980184

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,4-dimethyl-3-oxo-N-phenylpentanamide?
The IUPAC name of 2-fluoro-4,4-dimethyl-3-oxo-N-phenylpentanamide (CID 10399263) is 2-fluoro-4,4-dimethyl-3-oxo-N-phenylpentanamide.
What is the SMILES notation for 2-fluoro-4,4-dimethyl-3-oxo-N-phenylpentanamide?
The canonical SMILES for 2-fluoro-4,4-dimethyl-3-oxo-N-phenylpentanamide is CC(C)(C)C(=O)C(F)C(=O)Nc1ccccc1.
What is the InChIKey of 2-fluoro-4,4-dimethyl-3-oxo-N-phenylpentanamide?
The InChIKey is BYTBZXKEEXTXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-13(2,3)11(16)10(14)12(17)15-9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,15,17).
What are the key properties of 2-fluoro-4,4-dimethyl-3-oxo-N-phenylpentanamide?
2-fluoro-4,4-dimethyl-3-oxo-N-phenylpentanamide has a molecular weight of 237.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,4-dimethyl-3-oxo-N-phenylpentanamide is sourced from PubChem (CID 10399263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).