2-(3-fluoroanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid

C16H24FNO2 — CID 114868131

IUPAC2-(3-fluoroanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
SMILESCC(C)CC(CC(C)C)(Nc1cccc(F)c1)C(=O)O
InChIInChI=1S/C16H24FNO2/c1-11(2)9-16(15(19)20,10-12(3)4)18-14-7-5-6-13(17)8-14/h5-8,11-12,18H,9-10H2,1-4H3,(H,19,20)
InChIKeyWGJHCBADOMLREZ-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.15
Rot. Bonds7

About 2-(3-fluoroanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid

2-(3-fluoroanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid (PubChem CID 114868131) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid.

Molecular Properties

Compound Name2-(3-fluoroanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
PubChem CID114868131
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-(3-fluoroanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
SMILESCC(C)CC(CC(C)C)(Nc1cccc(F)c1)C(=O)O
InChIInChI=1S/C16H24FNO2/c1-11(2)9-16(15(19)20,10-12(3)4)18-14-7-5-6-13(17)8-14/h5-8,11-12,18H,9-10H2,1-4H3,(H,19,20)
InChIKeyWGJHCBADOMLREZ-UHFFFAOYSA-N
XLogP4.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-(3-fluoroanilino)butanoic acid
CID 60993028
2-(3-bromoanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868121
2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol
CID 61048497
2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
CID 60994028
2-(2-chlorophenyl)-2-(3-fluoroanilino)propanoic acid
CID 60992738
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
2-(3-fluoroanilino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 60992748
2-(3-fluoroanilino)-4,4-dimethylpentanamide
CID 55156390
N-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)oxamide
CID 86995587
2-anilino-2-(3-fluorophenyl)propanoic acid
CID 60991500
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315
(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid?
The IUPAC name of 2-(3-fluoroanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid (CID 114868131) is 2-(3-fluoroanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid.
What is the SMILES notation for 2-(3-fluoroanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid?
The canonical SMILES for 2-(3-fluoroanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid is CC(C)CC(CC(C)C)(Nc1cccc(F)c1)C(=O)O.
What is the InChIKey of 2-(3-fluoroanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid?
The InChIKey is WGJHCBADOMLREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-11(2)9-16(15(19)20,10-12(3)4)18-14-7-5-6-13(17)8-14/h5-8,11-12,18H,9-10H2,1-4H3,(H,19,20).
What are the key properties of 2-(3-fluoroanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid?
2-(3-fluoroanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid has a molecular weight of 281.37 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid is sourced from PubChem (CID 114868131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).