2-(2,5-difluoro-4-methylanilino)benzoic acid

C14H11F2NO2 — CID 103586340

IUPAC2-(2,5-difluoro-4-methylanilino)benzoic acid
SMILESCc1cc(F)c(Nc2ccccc2C(=O)O)cc1F
InChIInChI=1S/C14H11F2NO2/c1-8-6-11(16)13(7-10(8)15)17-12-5-3-2-4-9(12)14(18)19/h2-7,17H,1H3,(H,18,19)
InChIKeyMEODTEXKBDUTHI-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.72
Rot. Bonds3

About 2-(2,5-difluoro-4-methylanilino)benzoic acid

2-(2,5-difluoro-4-methylanilino)benzoic acid (PubChem CID 103586340) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-methylanilino)benzoic acid.

Molecular Properties

Compound Name2-(2,5-difluoro-4-methylanilino)benzoic acid
PubChem CID103586340
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name2-(2,5-difluoro-4-methylanilino)benzoic acid
SMILESCc1cc(F)c(Nc2ccccc2C(=O)O)cc1F
InChIInChI=1S/C14H11F2NO2/c1-8-6-11(16)13(7-10(8)15)17-12-5-3-2-4-9(12)14(18)19/h2-7,17H,1H3,(H,18,19)
InChIKeyMEODTEXKBDUTHI-UHFFFAOYSA-N
XLogP3.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid
CID 10385313
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
2-(2,3,5-trifluoroanilino)benzoic acid
CID 62813738
2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209935
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
CID 10739949
CID 10739949
ethane;2-(2-methoxycarbonylanilino)benzoic acid
CID 54418297
2-[4,5-dicarbamoyl-2-(2-carboxyanilino)anilino]benzoic acid
CID 22076419
5-fluoro-2-(2-fluoroanilino)benzoic acid
CID 82296808
4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid
CID 103586357
2-[[6-(2-carboxyanilino)-3-methylpyridazin-4-yl]amino]benzoic acid
CID 23883210
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-methylanilino)benzoic acid?
The IUPAC name of 2-(2,5-difluoro-4-methylanilino)benzoic acid (CID 103586340) is 2-(2,5-difluoro-4-methylanilino)benzoic acid.
What is the SMILES notation for 2-(2,5-difluoro-4-methylanilino)benzoic acid?
The canonical SMILES for 2-(2,5-difluoro-4-methylanilino)benzoic acid is Cc1cc(F)c(Nc2ccccc2C(=O)O)cc1F.
What is the InChIKey of 2-(2,5-difluoro-4-methylanilino)benzoic acid?
The InChIKey is MEODTEXKBDUTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-8-6-11(16)13(7-10(8)15)17-12-5-3-2-4-9(12)14(18)19/h2-7,17H,1H3,(H,18,19).
What are the key properties of 2-(2,5-difluoro-4-methylanilino)benzoic acid?
2-(2,5-difluoro-4-methylanilino)benzoic acid has a molecular weight of 263.24 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-4-methylanilino)benzoic acid is sourced from PubChem (CID 103586340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).