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

C10H11ClFNO2 — CID 107528138

IUPAC3-(2-chloro-5-fluoroanilino)-2-methylpropanoic acid
SMILESCC(CNc1cc(F)ccc1Cl)C(=O)O
InChIInChI=1S/C10H11ClFNO2/c1-6(10(14)15)5-13-9-4-7(12)2-3-8(9)11/h2-4,6,13H,5H2,1H3,(H,14,15)
InChIKeyXKKMINSRBVQXET-UHFFFAOYSA-N
MW231.65 g/mol
LogP2.61
Rot. Bonds4

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

3-(2-chloro-5-fluoroanilino)-2-methylpropanoic acid (PubChem CID 107528138) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is 3-(2-chloro-5-fluoroanilino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-chloro-5-fluoroanilino)-2-methylpropanoic acid
PubChem CID107528138
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name3-(2-chloro-5-fluoroanilino)-2-methylpropanoic acid
SMILESCC(CNc1cc(F)ccc1Cl)C(=O)O
InChIInChI=1S/C10H11ClFNO2/c1-6(10(14)15)5-13-9-4-7(12)2-3-8(9)11/h2-4,6,13H,5H2,1H3,(H,14,15)
InChIKeyXKKMINSRBVQXET-UHFFFAOYSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid
CID 62810259
3-[(2-chloro-5-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 107530124
2-(2-chloro-5-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 107528194
3-[(2-chloro-5-fluorophenyl)methylsulfanyl]-2-methylpropanoic acid
CID 102615124
3-(4-chloro-5-fluoro-2-nitroanilino)-2-methylpropanoic acid
CID 66077361
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235
2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107528287
3-[(5-fluoro-2-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62671152
2-amino-3-(2,5-difluoroanilino)propanoic acid
CID 103232824
(2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid
CID 103862701
3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid
CID 107303273
6-(2-chloro-5-fluoroanilino)hexanoic acid
CID 107528389

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluoroanilino)-2-methylpropanoic acid?
The IUPAC name of 3-(2-chloro-5-fluoroanilino)-2-methylpropanoic acid (CID 107528138) is 3-(2-chloro-5-fluoroanilino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-chloro-5-fluoroanilino)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-chloro-5-fluoroanilino)-2-methylpropanoic acid is CC(CNc1cc(F)ccc1Cl)C(=O)O.
What is the InChIKey of 3-(2-chloro-5-fluoroanilino)-2-methylpropanoic acid?
The InChIKey is XKKMINSRBVQXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-6(10(14)15)5-13-9-4-7(12)2-3-8(9)11/h2-4,6,13H,5H2,1H3,(H,14,15).
What are the key properties of 3-(2-chloro-5-fluoroanilino)-2-methylpropanoic acid?
3-(2-chloro-5-fluoroanilino)-2-methylpropanoic acid has a molecular weight of 231.65 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluoroanilino)-2-methylpropanoic acid is sourced from PubChem (CID 107528138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).