2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid

C15H14FNO4 — CID 62648655

IUPAC2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid
SMILESCOc1ccc(Nc2c(F)cccc2C(=O)O)c(OC)c1
InChIInChI=1S/C15H14FNO4/c1-20-9-6-7-12(13(8-9)21-2)17-14-10(15(18)19)4-3-5-11(14)16/h3-8,17H,1-2H3,(H,18,19)
InChIKeyDGBGOERSTVHEQY-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.28
Rot. Bonds5

About 2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid

2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid (PubChem CID 62648655) has the molecular formula C15H14FNO4 and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid
PubChem CID62648655
Molecular FormulaC15H14FNO4
Molecular Weight291.28 g/mol
Exact Mass291.09
IUPAC Name2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid
SMILESCOc1ccc(Nc2c(F)cccc2C(=O)O)c(OC)c1
InChIInChI=1S/C15H14FNO4/c1-20-9-6-7-12(13(8-9)21-2)17-14-10(15(18)19)4-3-5-11(14)16/h3-8,17H,1-2H3,(H,18,19)
InChIKeyDGBGOERSTVHEQY-UHFFFAOYSA-N
XLogP3.28
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethoxyanilino)phthalic acid
CID 58307328
3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid
CID 115935321
N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109269969
N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040526
2-(2,4-dimethoxyanilino)-3-methylbenzenecarbothioamide
CID 107107680
3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid
CID 62650638
3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid
CID 79766985
4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid
CID 81230836
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-(2,6-difluoroanilino)-5-methylbenzoic acid
CID 63537820
2-N-(2,4-dimethoxyphenyl)-3,4-difluorobenzene-1,2-diamine
CID 62532309

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid?
The IUPAC name of 2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid (CID 62648655) is 2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid is COc1ccc(Nc2c(F)cccc2C(=O)O)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid?
The InChIKey is DGBGOERSTVHEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4/c1-20-9-6-7-12(13(8-9)21-2)17-14-10(15(18)19)4-3-5-11(14)16/h3-8,17H,1-2H3,(H,18,19).
What are the key properties of 2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid?
2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid has a molecular weight of 291.28 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid is sourced from PubChem (CID 62648655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).