2-(4-fluoroanilino)-3-methyl-2-phenylbutanamide

C17H19FN2O — CID 60997141

IUPAC2-(4-fluoroanilino)-3-methyl-2-phenylbutanamide
SMILESCC(C)C(Nc1ccc(F)cc1)(C(N)=O)c1ccccc1
InChIInChI=1S/C17H19FN2O/c1-12(2)17(16(19)21,13-6-4-3-5-7-13)20-15-10-8-14(18)9-11-15/h3-12,20H,1-2H3,(H2,19,21)
InChIKeyAHRIYGUQGYDSKZ-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.27
Rot. Bonds5

About 2-(4-fluoroanilino)-3-methyl-2-phenylbutanamide

2-(4-fluoroanilino)-3-methyl-2-phenylbutanamide (PubChem CID 60997141) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-3-methyl-2-phenylbutanamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-3-methyl-2-phenylbutanamide
PubChem CID60997141
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-(4-fluoroanilino)-3-methyl-2-phenylbutanamide
SMILESCC(C)C(Nc1ccc(F)cc1)(C(N)=O)c1ccccc1
InChIInChI=1S/C17H19FN2O/c1-12(2)17(16(19)21,13-6-4-3-5-7-13)20-15-10-8-14(18)9-11-15/h3-12,20H,1-2H3,(H2,19,21)
InChIKeyAHRIYGUQGYDSKZ-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-3-methyl-2-phenylbutanamide
CID 60996428
2-(cyclopropylamino)-3-methyl-2-phenylbutanamide
CID 60872947
N-(1-amino-3-methyl-1-oxo-2-phenylbutan-2-yl)-2-hydroxybenzamide
CID 150830185
2-(4-fluoroanilino)-2-(4-fluorophenyl)butanamide
CID 60996994
2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid
CID 60991839
2-acetamido-3-methyl-2-phenylbutanoic acid
CID 63701624
N-(4-fluorophenyl)-2-hydroxy-2,2-diphenylacetamide
CID 693053
1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene
CID 143112976
methyl 2-anilino-2-(4-fluorophenyl)butanoate
CID 60992178
2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol
CID 112743486
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
methyl (E,2R,3S)-2-anilino-3-methyl-2-phenylhex-4-enoate
CID 139043646

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-3-methyl-2-phenylbutanamide?
The IUPAC name of 2-(4-fluoroanilino)-3-methyl-2-phenylbutanamide (CID 60997141) is 2-(4-fluoroanilino)-3-methyl-2-phenylbutanamide.
What is the SMILES notation for 2-(4-fluoroanilino)-3-methyl-2-phenylbutanamide?
The canonical SMILES for 2-(4-fluoroanilino)-3-methyl-2-phenylbutanamide is CC(C)C(Nc1ccc(F)cc1)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-(4-fluoroanilino)-3-methyl-2-phenylbutanamide?
The InChIKey is AHRIYGUQGYDSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(2)17(16(19)21,13-6-4-3-5-7-13)20-15-10-8-14(18)9-11-15/h3-12,20H,1-2H3,(H2,19,21).
What are the key properties of 2-(4-fluoroanilino)-3-methyl-2-phenylbutanamide?
2-(4-fluoroanilino)-3-methyl-2-phenylbutanamide has a molecular weight of 286.35 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-3-methyl-2-phenylbutanamide is sourced from PubChem (CID 60997141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).