2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid

C14H10ClF2NO2 — CID 142266274

IUPAC2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid
SMILESCc1ccc(Nc2c(C(=O)O)ccc(F)c2F)c(Cl)c1
InChIInChI=1S/C14H10ClF2NO2/c1-7-2-5-11(9(15)6-7)18-13-8(14(19)20)3-4-10(16)12(13)17/h2-6,18H,1H3,(H,19,20)
InChIKeyHZNVLIOMHLCZGR-UHFFFAOYSA-N
MW297.69 g/mol
LogP4.37
Rot. Bonds3

About 2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid

2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid (PubChem CID 142266274) has the molecular formula C14H10ClF2NO2 and a molecular weight of 297.69 g/mol. Its IUPAC name is 2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid.

Molecular Properties

Compound Name2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid
PubChem CID142266274
Molecular FormulaC14H10ClF2NO2
Molecular Weight297.69 g/mol
Exact Mass297.04
IUPAC Name2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid
SMILESCc1ccc(Nc2c(C(=O)O)ccc(F)c2F)c(Cl)c1
InChIInChI=1S/C14H10ClF2NO2/c1-7-2-5-11(9(15)6-7)18-13-8(14(19)20)3-4-10(16)12(13)17/h2-6,18H,1H3,(H,19,20)
InChIKeyHZNVLIOMHLCZGR-UHFFFAOYSA-N
XLogP4.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide
CID 143074005
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide
CID 143223156
3,4-difluoro-2-(2-fluoro-4-methylanilino)benzoyl fluoride;ethane
CID 171642357
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 143223174
2-amino-6-(2-chloro-4-methylanilino)-3-fluorobenzoic acid
CID 83215891
2-[(5-chloro-4,6-dimethyl-3-pyridinyl)amino]-3,4-difluorobenzoic acid
CID 71104165
ethane;3,4,5-trifluoro-2-(2-fluoro-4-methylanilino)benzoic acid
CID 142108942
2-(2-chloro-4-methylanilino)-3-nitrobenzoic acid
CID 115932151
2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid
CID 63537148
(2,3,4,5,6-pentafluorophenyl) 2-(2,4-dimethylanilino)-3,4-difluorobenzoate
CID 142108958
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methoxybenzamide;ethane
CID 164602895
2-(4-ethylsulfanyl-2-fluoroanilino)-3,4-difluorobenzoic acid
CID 22025691

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid?
The IUPAC name of 2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid (CID 142266274) is 2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid.
What is the SMILES notation for 2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid?
The canonical SMILES for 2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid is Cc1ccc(Nc2c(C(=O)O)ccc(F)c2F)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid?
The InChIKey is HZNVLIOMHLCZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO2/c1-7-2-5-11(9(15)6-7)18-13-8(14(19)20)3-4-10(16)12(13)17/h2-6,18H,1H3,(H,19,20).
What are the key properties of 2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid?
2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid has a molecular weight of 297.69 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid is sourced from PubChem (CID 142266274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).