2-[2-(2-chloro-4-fluoroanilino)-5-methylphenyl]acetic acid

C15H13ClFNO2 — CID 141066833

IUPAC2-[2-(2-chloro-4-fluoroanilino)-5-methylphenyl]acetic acid
SMILESCc1ccc(Nc2ccc(F)cc2Cl)c(CC(=O)O)c1
InChIInChI=1S/C15H13ClFNO2/c1-9-2-4-13(10(6-9)7-15(19)20)18-14-5-3-11(17)8-12(14)16/h2-6,8,18H,7H2,1H3,(H,19,20)
InChIKeyPGNJTANITOJKPX-UHFFFAOYSA-N
MW293.73 g/mol
LogP4.16
Rot. Bonds4

About 2-[2-(2-chloro-4-fluoroanilino)-5-methylphenyl]acetic acid

2-[2-(2-chloro-4-fluoroanilino)-5-methylphenyl]acetic acid (PubChem CID 141066833) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-fluoroanilino)-5-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-chloro-4-fluoroanilino)-5-methylphenyl]acetic acid
PubChem CID141066833
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name2-[2-(2-chloro-4-fluoroanilino)-5-methylphenyl]acetic acid
SMILESCc1ccc(Nc2ccc(F)cc2Cl)c(CC(=O)O)c1
InChIInChI=1S/C15H13ClFNO2/c1-9-2-4-13(10(6-9)7-15(19)20)18-14-5-3-11(17)8-12(14)16/h2-6,8,18H,7H2,1H3,(H,19,20)
InChIKeyPGNJTANITOJKPX-UHFFFAOYSA-N
XLogP4.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluoroanilino)-5-methylbenzonitrile
CID 107927006
N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079599
2-[2-(2,4-dichloro-3-methylanilino)-5-ethylphenyl]acetic acid;2-[2-(2,4-dichloro-3-methylanilino)-5-methylphenyl]acetic acid;2-[2-[4-ethyl-2-fluoro-3-(trifluoromethyl)anilino]-5-methylphenyl]acetic acid
CID 162177540
2-chloro-4-fluoro-N-phenylaniline
CID 86051149
N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62511235
methyl N-(2-chloro-4-fluorophenyl)carbamate
CID 115579852
2-amino-6-(2-chloro-4-methylanilino)-3-fluorobenzoic acid
CID 83215891
N-(2-chloro-4-fluorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708633
4-(2-chloro-4-fluoroanilino)butanoic acid
CID 18072403
2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid
CID 57434772
2-[2-(4-bromo-3-methylanilino)-5-methylphenyl]acetic acid
CID 84609783
sodium 2-[2-(2,6-dichloro-4-fluoroanilino)-5-fluorophenyl]acetate
CID 23689693

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-fluoroanilino)-5-methylphenyl]acetic acid?
The IUPAC name of 2-[2-(2-chloro-4-fluoroanilino)-5-methylphenyl]acetic acid (CID 141066833) is 2-[2-(2-chloro-4-fluoroanilino)-5-methylphenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-chloro-4-fluoroanilino)-5-methylphenyl]acetic acid?
The canonical SMILES for 2-[2-(2-chloro-4-fluoroanilino)-5-methylphenyl]acetic acid is Cc1ccc(Nc2ccc(F)cc2Cl)c(CC(=O)O)c1.
What is the InChIKey of 2-[2-(2-chloro-4-fluoroanilino)-5-methylphenyl]acetic acid?
The InChIKey is PGNJTANITOJKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-9-2-4-13(10(6-9)7-15(19)20)18-14-5-3-11(17)8-12(14)16/h2-6,8,18H,7H2,1H3,(H,19,20).
What are the key properties of 2-[2-(2-chloro-4-fluoroanilino)-5-methylphenyl]acetic acid?
2-[2-(2-chloro-4-fluoroanilino)-5-methylphenyl]acetic acid has a molecular weight of 293.73 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-fluoroanilino)-5-methylphenyl]acetic acid is sourced from PubChem (CID 141066833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).