2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid

C14H11ClFNO2 — CID 63537148

IUPAC2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid
SMILESCc1ccc(Nc2ccc(F)c(Cl)c2)c(C(=O)O)c1
InChIInChI=1S/C14H11ClFNO2/c1-8-2-5-13(10(6-8)14(18)19)17-9-3-4-12(16)11(15)7-9/h2-7,17H,1H3,(H,18,19)
InChIKeyOGAXWSODJXMUFK-UHFFFAOYSA-N
MW279.70 g/mol
LogP4.23
Rot. Bonds3

About 2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid

2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid (PubChem CID 63537148) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid
PubChem CID63537148
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid
SMILESCc1ccc(Nc2ccc(F)c(Cl)c2)c(C(=O)O)c1
InChIInChI=1S/C14H11ClFNO2/c1-8-2-5-13(10(6-8)14(18)19)17-9-3-4-12(16)11(15)7-9/h2-7,17H,1H3,(H,18,19)
InChIKeyOGAXWSODJXMUFK-UHFFFAOYSA-N
XLogP4.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoroanilino)-5-methylbenzoic acid
CID 55222818
2-(2,5-dichloroanilino)-5-methylbenzoic acid
CID 63528661
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
2-[3-(2-carboxy-4-methylanilino)anilino]-5-methylbenzoic acid
CID 10785748
5-chloro-2-(3,5-dichloro-4-fluoroanilino)benzoic acid
CID 107575496
5-methyl-2-(3-methylanilino)benzoic acid
CID 19749262
4-(3-chloro-4-fluoroanilino)-3-fluorobenzoic acid
CID 55108022
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
2-(2,6-difluoroanilino)-5-methylbenzoic acid
CID 63537820
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
2-amino-6-(3-chloro-4-fluoroanilino)-3-fluorobenzoic acid
CID 83215734
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid (CID 63537148) is 2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid is Cc1ccc(Nc2ccc(F)c(Cl)c2)c(C(=O)O)c1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid?
The InChIKey is OGAXWSODJXMUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-8-2-5-13(10(6-8)14(18)19)17-9-3-4-12(16)11(15)7-9/h2-7,17H,1H3,(H,18,19).
What are the key properties of 2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid?
2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid has a molecular weight of 279.70 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid is sourced from PubChem (CID 63537148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).