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

C9H9ClFNO2 — CID 107363833

IUPAC2-(3-chloro-5-fluoroanilino)propanoic acid
SMILESCC(Nc1cc(F)cc(Cl)c1)C(=O)O
InChIInChI=1S/C9H9ClFNO2/c1-5(9(13)14)12-8-3-6(10)2-7(11)4-8/h2-5,12H,1H3,(H,13,14)
InChIKeySKWLISBKQZYBEL-UHFFFAOYSA-N
MW217.63 g/mol
LogP2.36
Rot. Bonds3

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

2-(3-chloro-5-fluoroanilino)propanoic acid (PubChem CID 107363833) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is 2-(3-chloro-5-fluoroanilino)propanoic acid.

Molecular Properties

Compound Name2-(3-chloro-5-fluoroanilino)propanoic acid
PubChem CID107363833
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name2-(3-chloro-5-fluoroanilino)propanoic acid
SMILESCC(Nc1cc(F)cc(Cl)c1)C(=O)O
InChIInChI=1S/C9H9ClFNO2/c1-5(9(13)14)12-8-3-6(10)2-7(11)4-8/h2-5,12H,1H3,(H,13,14)
InChIKeySKWLISBKQZYBEL-UHFFFAOYSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide
CID 107365072
3-(1-carboxyethylamino)-5-fluorobenzoic acid
CID 82539663
(2S)-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 107368711
2-(3,5-dichloroanilino)propanamide
CID 43085996
N-but-3-yn-2-yl-3-chloro-5-fluoroaniline
CID 107364846
propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate
CID 107364692
methyl (2S)-2-(3,5-dichloroanilino)propanoate
CID 26599088
3-chloro-5-fluoro-N-(3-methoxybutan-2-yl)aniline
CID 115928758
2-[(3-chloro-5-fluorophenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 107368719
2-(3-chloro-5-fluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 103773234
2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol
CID 104584071
2-[[(3-chloro-5-fluorophenyl)carbamoylamino]methyl]butanoic acid
CID 107368668

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluoroanilino)propanoic acid?
The IUPAC name of 2-(3-chloro-5-fluoroanilino)propanoic acid (CID 107363833) is 2-(3-chloro-5-fluoroanilino)propanoic acid.
What is the SMILES notation for 2-(3-chloro-5-fluoroanilino)propanoic acid?
The canonical SMILES for 2-(3-chloro-5-fluoroanilino)propanoic acid is CC(Nc1cc(F)cc(Cl)c1)C(=O)O.
What is the InChIKey of 2-(3-chloro-5-fluoroanilino)propanoic acid?
The InChIKey is SKWLISBKQZYBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c1-5(9(13)14)12-8-3-6(10)2-7(11)4-8/h2-5,12H,1H3,(H,13,14).
What are the key properties of 2-(3-chloro-5-fluoroanilino)propanoic acid?
2-(3-chloro-5-fluoroanilino)propanoic acid has a molecular weight of 217.63 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluoroanilino)propanoic acid is sourced from PubChem (CID 107363833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).