2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid

C15H13ClFNO2 — CID 57434772

IUPAC2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid
SMILESCc1ccc(CC(=O)O)c(Nc2c(F)cccc2Cl)c1
InChIInChI=1S/C15H13ClFNO2/c1-9-5-6-10(8-14(19)20)13(7-9)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyDJHIWVKWYUSYKV-UHFFFAOYSA-N
MW293.72 g/mol
LogP4.16
Rot. Bonds4

About 2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid

2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid (PubChem CID 57434772) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.72 g/mol. Its IUPAC name is 2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid
PubChem CID57434772
Molecular FormulaC15H13ClFNO2
Molecular Weight293.72 g/mol
Exact Mass293.06
IUPAC Name2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid
SMILESCc1ccc(CC(=O)O)c(Nc2c(F)cccc2Cl)c1
InChIInChI=1S/C15H13ClFNO2/c1-9-5-6-10(8-14(19)20)13(7-9)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyDJHIWVKWYUSYKV-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 ≤ 500293.72
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-chloro-6-fluoroanilino)-3,4-dideuterio-5-methylphenyl]-2,2-dideuterioacetic acid
CID 46214681
2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline
CID 56618086
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
2-(2,6-difluoroanilino)-5-methylbenzoic acid
CID 63537820
2-(2,5-dimethylanilino)-3-fluorobenzoic acid
CID 63538460
(2R,3R,4R,5S,6R)-6-[2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 71749854
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid
CID 142968081
sodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate
CID 23689082
[3-(nitrooxymethyl)phenyl] 2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetate
CID 58863363
phenyl 2-[2-(2-chloro-6-fluoroanilino)-5-phenylphenyl]acetate
CID 142698564
2-[2-(2-chloro-4-fluoroanilino)-5-methylphenyl]acetic acid
CID 141066833

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid?
The IUPAC name of 2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid (CID 57434772) is 2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid?
The canonical SMILES for 2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid is Cc1ccc(CC(=O)O)c(Nc2c(F)cccc2Cl)c1.
What is the InChIKey of 2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid?
The InChIKey is DJHIWVKWYUSYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-9-5-6-10(8-14(19)20)13(7-9)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20).
What are the key properties of 2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid?
2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid has a molecular weight of 293.72 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-6-fluoroanilino)-4-methylphenyl]acetic acid is sourced from PubChem (CID 57434772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).