2-amino-3-fluoro-6-(4-methoxyanilino)benzoic acid

C14H13FN2O3 — CID 83215965

IUPAC2-amino-3-fluoro-6-(4-methoxyanilino)benzoic acid
SMILESCOc1ccc(Nc2ccc(F)c(N)c2C(=O)O)cc1
InChIInChI=1S/C14H13FN2O3/c1-20-9-4-2-8(3-5-9)17-11-7-6-10(15)13(16)12(11)14(18)19/h2-7,17H,16H2,1H3,(H,18,19)
InChIKeyUUGXDXOECGMBQK-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.86
Rot. Bonds4

About 2-amino-3-fluoro-6-(4-methoxyanilino)benzoic acid

2-amino-3-fluoro-6-(4-methoxyanilino)benzoic acid (PubChem CID 83215965) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-amino-3-fluoro-6-(4-methoxyanilino)benzoic acid.

Molecular Properties

Compound Name2-amino-3-fluoro-6-(4-methoxyanilino)benzoic acid
PubChem CID83215965
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name2-amino-3-fluoro-6-(4-methoxyanilino)benzoic acid
SMILESCOc1ccc(Nc2ccc(F)c(N)c2C(=O)O)cc1
InChIInChI=1S/C14H13FN2O3/c1-20-9-4-2-8(3-5-9)17-11-7-6-10(15)13(16)12(11)14(18)19/h2-7,17H,16H2,1H3,(H,18,19)
InChIKeyUUGXDXOECGMBQK-UHFFFAOYSA-N
XLogP2.86
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(3-chloro-4-fluoroanilino)-3-fluorobenzoic acid
CID 83215734
2-amino-6-(4-bromo-3,5-dimethylanilino)-3-fluorobenzoic acid
CID 107575441
2-amino-6-(1-benzothiophen-5-ylamino)-3-fluorobenzoic acid
CID 83206087
5-chloro-2-(4-methoxyanilino)benzoic acid
CID 13371480
2-amino-6-(5-bromo-2-fluoroanilino)-3-fluorobenzoic acid
CID 83215104
2-amino-6-(2-chloro-4-methylanilino)-3-fluorobenzoic acid
CID 83215891
2-amino-3-fluoro-6-(2,4,6-trifluoroanilino)benzoic acid
CID 83207097
2-amino-6-(5-bromo-2,4-difluoroanilino)-3-fluorobenzoic acid
CID 102854060
2-amino-6-(2-chloro-5-methylanilino)-3-fluorobenzoic acid
CID 107636111
2-amino-6-(5-bromo-4-fluoro-2-methylanilino)-3-fluorobenzoic acid
CID 107592847
3,5-difluoro-1-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 113325112
2-amino-6-(3-ethylpentan-3-ylamino)-3-fluorobenzoic acid
CID 83207309

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-6-(4-methoxyanilino)benzoic acid?
The IUPAC name of 2-amino-3-fluoro-6-(4-methoxyanilino)benzoic acid (CID 83215965) is 2-amino-3-fluoro-6-(4-methoxyanilino)benzoic acid.
What is the SMILES notation for 2-amino-3-fluoro-6-(4-methoxyanilino)benzoic acid?
The canonical SMILES for 2-amino-3-fluoro-6-(4-methoxyanilino)benzoic acid is COc1ccc(Nc2ccc(F)c(N)c2C(=O)O)cc1.
What is the InChIKey of 2-amino-3-fluoro-6-(4-methoxyanilino)benzoic acid?
The InChIKey is UUGXDXOECGMBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-20-9-4-2-8(3-5-9)17-11-7-6-10(15)13(16)12(11)14(18)19/h2-7,17H,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-3-fluoro-6-(4-methoxyanilino)benzoic acid?
2-amino-3-fluoro-6-(4-methoxyanilino)benzoic acid has a molecular weight of 276.27 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-6-(4-methoxyanilino)benzoic acid is sourced from PubChem (CID 83215965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).