2-amino-6-(5-bromo-4-fluoro-2-methylanilino)-3-fluorobenzoic acid

C14H11BrF2N2O2 — CID 107592847

IUPAC2-amino-6-(5-bromo-4-fluoro-2-methylanilino)-3-fluorobenzoic acid
SMILESCc1cc(F)c(Br)cc1Nc1ccc(F)c(N)c1C(=O)O
InChIInChI=1S/C14H11BrF2N2O2/c1-6-4-9(17)7(15)5-11(6)19-10-3-2-8(16)13(18)12(10)14(20)21/h2-5,19H,18H2,1H3,(H,20,21)
InChIKeyFMZYMNXEHVUZOY-UHFFFAOYSA-N
MW357.15 g/mol
LogP4.06
Rot. Bonds3

About 2-amino-6-(5-bromo-4-fluoro-2-methylanilino)-3-fluorobenzoic acid

2-amino-6-(5-bromo-4-fluoro-2-methylanilino)-3-fluorobenzoic acid (PubChem CID 107592847) has the molecular formula C14H11BrF2N2O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is 2-amino-6-(5-bromo-4-fluoro-2-methylanilino)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-amino-6-(5-bromo-4-fluoro-2-methylanilino)-3-fluorobenzoic acid
PubChem CID107592847
Molecular FormulaC14H11BrF2N2O2
Molecular Weight357.15 g/mol
Exact Mass356.00
IUPAC Name2-amino-6-(5-bromo-4-fluoro-2-methylanilino)-3-fluorobenzoic acid
SMILESCc1cc(F)c(Br)cc1Nc1ccc(F)c(N)c1C(=O)O
InChIInChI=1S/C14H11BrF2N2O2/c1-6-4-9(17)7(15)5-11(6)19-10-3-2-8(16)13(18)12(10)14(20)21/h2-5,19H,18H2,1H3,(H,20,21)
InChIKeyFMZYMNXEHVUZOY-UHFFFAOYSA-N
XLogP4.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(5-bromo-2,4-difluoroanilino)-3-fluorobenzoic acid
CID 102854060
2-amino-6-(4-bromo-3,5-dimethylanilino)-3-fluorobenzoic acid
CID 107575441
2-amino-6-(5-bromo-2-fluoroanilino)-3-fluorobenzoic acid
CID 83215104
5-amino-4-(5-bromo-4-fluoro-2-methylanilino)-2-fluorobenzoic acid
CID 107591034
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-(2-chloro-5-methylanilino)-3-fluorobenzoic acid
CID 107636111
2-amino-3-fluoro-6-(4-methoxyanilino)benzoic acid
CID 83215965
4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 107592865
2-amino-6-(3-chloro-4-fluoroanilino)-3-fluorobenzoic acid
CID 83215734
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
CID 107592257
4-amino-3-(5-bromo-4-fluoro-2-methylanilino)benzenesulfonamide
CID 107590941

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-bromo-4-fluoro-2-methylanilino)-3-fluorobenzoic acid?
The IUPAC name of 2-amino-6-(5-bromo-4-fluoro-2-methylanilino)-3-fluorobenzoic acid (CID 107592847) is 2-amino-6-(5-bromo-4-fluoro-2-methylanilino)-3-fluorobenzoic acid.
What is the SMILES notation for 2-amino-6-(5-bromo-4-fluoro-2-methylanilino)-3-fluorobenzoic acid?
The canonical SMILES for 2-amino-6-(5-bromo-4-fluoro-2-methylanilino)-3-fluorobenzoic acid is Cc1cc(F)c(Br)cc1Nc1ccc(F)c(N)c1C(=O)O.
What is the InChIKey of 2-amino-6-(5-bromo-4-fluoro-2-methylanilino)-3-fluorobenzoic acid?
The InChIKey is FMZYMNXEHVUZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2/c1-6-4-9(17)7(15)5-11(6)19-10-3-2-8(16)13(18)12(10)14(20)21/h2-5,19H,18H2,1H3,(H,20,21).
What are the key properties of 2-amino-6-(5-bromo-4-fluoro-2-methylanilino)-3-fluorobenzoic acid?
2-amino-6-(5-bromo-4-fluoro-2-methylanilino)-3-fluorobenzoic acid has a molecular weight of 357.15 g/mol, XLogP of 4.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-bromo-4-fluoro-2-methylanilino)-3-fluorobenzoic acid is sourced from PubChem (CID 107592847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).