4-[2-(dimethylamino)anilino]-3,5-difluorobenzoic acid

C15H14F2N2O2 — CID 106760102

IUPAC4-[2-(dimethylamino)anilino]-3,5-difluorobenzoic acid
SMILESCN(C)c1ccccc1Nc1c(F)cc(C(=O)O)cc1F
InChIInChI=1S/C15H14F2N2O2/c1-19(2)13-6-4-3-5-12(13)18-14-10(16)7-9(15(20)21)8-11(14)17/h3-8,18H,1-2H3,(H,20,21)
InChIKeyGXEURWJBMCYWEV-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.47
Rot. Bonds4

About 4-[2-(dimethylamino)anilino]-3,5-difluorobenzoic acid

4-[2-(dimethylamino)anilino]-3,5-difluorobenzoic acid (PubChem CID 106760102) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-[2-(dimethylamino)anilino]-3,5-difluorobenzoic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)anilino]-3,5-difluorobenzoic acid
PubChem CID106760102
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name4-[2-(dimethylamino)anilino]-3,5-difluorobenzoic acid
SMILESCN(C)c1ccccc1Nc1c(F)cc(C(=O)O)cc1F
InChIInChI=1S/C15H14F2N2O2/c1-19(2)13-6-4-3-5-12(13)18-14-10(16)7-9(15(20)21)8-11(14)17/h3-8,18H,1-2H3,(H,20,21)
InChIKeyGXEURWJBMCYWEV-UHFFFAOYSA-N
XLogP3.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[2-(dimethylamino)phenyl]-2,6-difluorobenzene-1,4-diamine
CID 106759464
4-amino-3-[2-(dimethylamino)anilino]benzoic acid
CID 106760641
4-(2,4-difluoroanilino)-3,5-difluorobenzoic acid
CID 63183808
3,5-difluoro-4-(2,4,5-trichloroanilino)benzoic acid
CID 63526952
4-(2,4-dimethylanilino)-3,5-difluorobenzoic acid
CID 63539306
3,5-difluoro-4-(4-fluoro-2-methylanilino)benzoic acid
CID 63183976
4-(2-cyano-3-fluoroanilino)-3,5-difluorobenzoic acid
CID 63187452
4-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760608
3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760605
4-(2,5-dichloroanilino)-3,5-difluorobenzoic acid
CID 63528498
4-(2-bromo-5-methylanilino)-3,5-difluorobenzoic acid
CID 82757080
4-(2-bromo-4-fluoroanilino)-3,5-difluorobenzoic acid
CID 63537645

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)anilino]-3,5-difluorobenzoic acid?
The IUPAC name of 4-[2-(dimethylamino)anilino]-3,5-difluorobenzoic acid (CID 106760102) is 4-[2-(dimethylamino)anilino]-3,5-difluorobenzoic acid.
What is the SMILES notation for 4-[2-(dimethylamino)anilino]-3,5-difluorobenzoic acid?
The canonical SMILES for 4-[2-(dimethylamino)anilino]-3,5-difluorobenzoic acid is CN(C)c1ccccc1Nc1c(F)cc(C(=O)O)cc1F.
What is the InChIKey of 4-[2-(dimethylamino)anilino]-3,5-difluorobenzoic acid?
The InChIKey is GXEURWJBMCYWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-19(2)13-6-4-3-5-12(13)18-14-10(16)7-9(15(20)21)8-11(14)17/h3-8,18H,1-2H3,(H,20,21).
What are the key properties of 4-[2-(dimethylamino)anilino]-3,5-difluorobenzoic acid?
4-[2-(dimethylamino)anilino]-3,5-difluorobenzoic acid has a molecular weight of 292.29 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)anilino]-3,5-difluorobenzoic acid is sourced from PubChem (CID 106760102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).