3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid

C10H11ClFNO3 — CID 104643930

IUPAC3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNc1cc(Cl)ccc1F)C(=O)O
InChIInChI=1S/C10H11ClFNO3/c1-10(16,9(14)15)5-13-8-4-6(11)2-3-7(8)12/h2-4,13,16H,5H2,1H3,(H,14,15)
InChIKeyHALZBMLALXWFEK-UHFFFAOYSA-N
MW247.65 g/mol
LogP1.73
Rot. Bonds4

About 3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid

3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid (PubChem CID 104643930) has the molecular formula C10H11ClFNO3 and a molecular weight of 247.65 g/mol. Its IUPAC name is 3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid
PubChem CID104643930
Molecular FormulaC10H11ClFNO3
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Name3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNc1cc(Cl)ccc1F)C(=O)O
InChIInChI=1S/C10H11ClFNO3/c1-10(16,9(14)15)5-13-8-4-6(11)2-3-7(8)12/h2-4,13,16H,5H2,1H3,(H,14,15)
InChIKeyHALZBMLALXWFEK-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

methyl 3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoate
CID 104643931
3-(5-chloro-2-fluoroanilino)-2,2-dimethylpropan-1-ol
CID 81413950
3-(2-fluoro-4-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643855
3-(4-chloro-3-fluoroanilino)-2-hydroxy-2-methylpropanoic acid
CID 104644162
3-[(4-chlorophenyl)methylamino]-2-hydroxy-2-methylpropanoic acid
CID 104643847
3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropanoic acid
CID 79623525
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173969
methyl 3-(2-bromo-5-chloroanilino)-2-hydroxy-2-methylpropanoate
CID 104644795
2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid
CID 104643883
1-(4-chloro-2-fluoroanilino)-2-methylpropan-2-ol
CID 61472351
3-[(5-chloro-2-propan-2-ylsulfanylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079562
3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173227

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid (CID 104643930) is 3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid is CC(O)(CNc1cc(Cl)ccc1F)C(=O)O.
What is the InChIKey of 3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is HALZBMLALXWFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO3/c1-10(16,9(14)15)5-13-8-4-6(11)2-3-7(8)12/h2-4,13,16H,5H2,1H3,(H,14,15).
What are the key properties of 3-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid?
3-(5-chloro-2-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-(5-chloro-2-fluoroanilino)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 104643930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).