3,5-difluoro-4-(3-methylanilino)benzoic acid

C14H11F2NO2 — CID 55159434

IUPAC3,5-difluoro-4-(3-methylanilino)benzoic acid
SMILESCc1cccc(Nc2c(F)cc(C(=O)O)cc2F)c1
InChIInChI=1S/C14H11F2NO2/c1-8-3-2-4-10(5-8)17-13-11(15)6-9(14(18)19)7-12(13)16/h2-7,17H,1H3,(H,18,19)
InChIKeyPPQZPFCGOVOVQS-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.72
Rot. Bonds3

About 3,5-difluoro-4-(3-methylanilino)benzoic acid

3,5-difluoro-4-(3-methylanilino)benzoic acid (PubChem CID 55159434) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 3,5-difluoro-4-(3-methylanilino)benzoic acid.

Molecular Properties

Compound Name3,5-difluoro-4-(3-methylanilino)benzoic acid
PubChem CID55159434
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name3,5-difluoro-4-(3-methylanilino)benzoic acid
SMILESCc1cccc(Nc2c(F)cc(C(=O)O)cc2F)c1
InChIInChI=1S/C14H11F2NO2/c1-8-3-2-4-10(5-8)17-13-11(15)6-9(14(18)19)7-12(13)16/h2-7,17H,1H3,(H,18,19)
InChIKeyPPQZPFCGOVOVQS-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

4-(3-chloroanilino)-3,5-difluorobenzoic acid
CID 63184063
2,6-difluoro-1-N-(3-methylphenyl)benzene-1,4-diamine
CID 54902575
4-(2-bromo-5-methylanilino)-3,5-difluorobenzoic acid
CID 82757080
4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid
CID 63539306
4-(4-bromo-3-methoxyanilino)-3,5-difluorobenzoic acid
CID 82859212
3-(2,3,4,5,6-pentafluoroanilino)benzoic acid
CID 43238245
6,8-difluoro-4-(3-methylanilino)quinoline-3-carboxylic acid
CID 23239670
3,5-difluoro-4-(4-fluoro-2-methylanilino)benzoic acid
CID 63183976
4-(1,3-benzothiazol-6-ylamino)-3,5-difluorobenzoic acid
CID 107805858
5-methyl-2-(3-methylanilino)benzoic acid
CID 19749262
N'-(2,6-difluorophenyl)-N-(3-methylphenyl)oxamide
CID 108515662
3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid
CID 58946117

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(3-methylanilino)benzoic acid?
The IUPAC name of 3,5-difluoro-4-(3-methylanilino)benzoic acid (CID 55159434) is 3,5-difluoro-4-(3-methylanilino)benzoic acid.
What is the SMILES notation for 3,5-difluoro-4-(3-methylanilino)benzoic acid?
The canonical SMILES for 3,5-difluoro-4-(3-methylanilino)benzoic acid is Cc1cccc(Nc2c(F)cc(C(=O)O)cc2F)c1.
What is the InChIKey of 3,5-difluoro-4-(3-methylanilino)benzoic acid?
The InChIKey is PPQZPFCGOVOVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-8-3-2-4-10(5-8)17-13-11(15)6-9(14(18)19)7-12(13)16/h2-7,17H,1H3,(H,18,19).
What are the key properties of 3,5-difluoro-4-(3-methylanilino)benzoic acid?
3,5-difluoro-4-(3-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 3,5-difluoro-4-(3-methylanilino)benzoic acid is sourced from PubChem (CID 55159434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).