4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid

C15H13F2NO2 — CID 63539306

IUPAC4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid
SMILESCc1ccc(Nc2c(F)cc(C(=O)O)cc2F)c(C)c1
InChIInChI=1S/C15H13F2NO2/c1-8-3-4-13(9(2)5-8)18-14-11(16)6-10(15(19)20)7-12(14)17/h3-7,18H,1-2H3,(H,19,20)
InChIKeyFNKGRNNLTPUQJS-UHFFFAOYSA-N
MW277.27 g/mol
LogP4.02
Rot. Bonds3

About 4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid

4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid (PubChem CID 63539306) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid.

Molecular Properties

Compound Name4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid
PubChem CID63539306
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid
SMILESCc1ccc(Nc2c(F)cc(C(=O)O)cc2F)c(C)c1
InChIInChI=1S/C15H13F2NO2/c1-8-3-4-13(9(2)5-8)18-14-11(16)6-10(15(19)20)7-12(14)17/h3-7,18H,1-2H3,(H,19,20)
InChIKeyFNKGRNNLTPUQJS-UHFFFAOYSA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-4-(4-fluoro-2-methylanilino)benzoic acid
CID 63183976
4-(2-bromo-5-methylanilino)-3,5-difluorobenzoic acid
CID 82757080
4-(2,4-dimethylanilino)-3-methylbenzoic acid
CID 55225092
4-(2,4-difluoroanilino)-3,5-difluorobenzoic acid
CID 63183808
3,5-difluoro-4-(3-methylanilino)benzoic acid
CID 55159434
3,5-difluoro-4-(4-fluoro-2-iodoanilino)benzoic acid
CID 79766747
4-(2-bromo-4-fluoroanilino)-3,5-difluorobenzoic acid
CID 63537645
2-(2,6-difluoroanilino)-5-methylbenzoic acid
CID 63537820
4-(2,5-dichloroanilino)-3,5-difluorobenzoic acid
CID 63528498
3-fluoro-4-(4-methylanilino)benzoic acid
CID 82294597
4-[2-(dimethylamino)anilino]-3,5-difluorobenzoic acid
CID 106760102
3,5-difluoro-4-(2,4,5-trichloroanilino)benzoic acid
CID 63526952

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid?
The IUPAC name of 4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid (CID 63539306) is 4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid.
What is the SMILES notation for 4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid?
The canonical SMILES for 4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid is Cc1ccc(Nc2c(F)cc(C(=O)O)cc2F)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid?
The InChIKey is FNKGRNNLTPUQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-8-3-4-13(9(2)5-8)18-14-11(16)6-10(15(19)20)7-12(14)17/h3-7,18H,1-2H3,(H,19,20).
What are the key properties of 4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid?
4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid has a molecular weight of 277.27 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid is sourced from PubChem (CID 63539306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).