3-(4-chloro-3-fluoroanilino)-2-hydroxy-2-methylpropanoic acid

C10H11ClFNO3 — CID 104644162

IUPAC3-(4-chloro-3-fluoroanilino)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNc1ccc(Cl)c(F)c1)C(=O)O
InChIInChI=1S/C10H11ClFNO3/c1-10(16,9(14)15)5-13-6-2-3-7(11)8(12)4-6/h2-4,13,16H,5H2,1H3,(H,14,15)
InChIKeyUKUIWMNZKWRAKK-UHFFFAOYSA-N
MW247.65 g/mol
LogP1.73
Rot. Bonds4

About 3-(4-chloro-3-fluoroanilino)-2-hydroxy-2-methylpropanoic acid

3-(4-chloro-3-fluoroanilino)-2-hydroxy-2-methylpropanoic acid (PubChem CID 104644162) has the molecular formula C10H11ClFNO3 and a molecular weight of 247.65 g/mol. Its IUPAC name is 3-(4-chloro-3-fluoroanilino)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-chloro-3-fluoroanilino)-2-hydroxy-2-methylpropanoic acid
PubChem CID104644162
Molecular FormulaC10H11ClFNO3
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Name3-(4-chloro-3-fluoroanilino)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNc1ccc(Cl)c(F)c1)C(=O)O
InChIInChI=1S/C10H11ClFNO3/c1-10(16,9(14)15)5-13-6-2-3-7(11)8(12)4-6/h2-4,13,16H,5H2,1H3,(H,14,15)
InChIKeyUKUIWMNZKWRAKK-UHFFFAOYSA-N
XLogP1.73
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chloro-3-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 107997969
2-(4-chloro-3-fluoroanilino)-2-methylbutanoic acid
CID 114997572
3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643930
4-chloro-N-(2-ethylsulfanylethyl)-3-fluoroaniline
CID 115882008
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
2-hydroxy-2-methyl-3-(4-methylsulfanylanilino)propanoic acid
CID 104643663
3-(4-bromo-3-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643683
(2S)-2-amino-N-(4-chloro-3-fluorophenyl)-3,3-dimethylbutanamide
CID 61178407
2-(4-chloro-3-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 60536545
3-[(4-chloro-3-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 64700872
methyl 3-[4-chloro-3-(trifluoromethyl)anilino]-2-hydroxy-2-methylpropanoate
CID 104643892
4-chloro-3-fluoro-N-(4,4,4-trifluorobutyl)aniline
CID 115513611

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluoroanilino)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(4-chloro-3-fluoroanilino)-2-hydroxy-2-methylpropanoic acid (CID 104644162) is 3-(4-chloro-3-fluoroanilino)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-chloro-3-fluoroanilino)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(4-chloro-3-fluoroanilino)-2-hydroxy-2-methylpropanoic acid is CC(O)(CNc1ccc(Cl)c(F)c1)C(=O)O.
What is the InChIKey of 3-(4-chloro-3-fluoroanilino)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is UKUIWMNZKWRAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO3/c1-10(16,9(14)15)5-13-6-2-3-7(11)8(12)4-6/h2-4,13,16H,5H2,1H3,(H,14,15).
What are the key properties of 3-(4-chloro-3-fluoroanilino)-2-hydroxy-2-methylpropanoic acid?
3-(4-chloro-3-fluoroanilino)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 247.65 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluoroanilino)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 104644162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).