2-amino-6-(2-chloro-5-methylanilino)-3-fluorobenzoic acid

C14H12ClFN2O2 — CID 107636111

IUPAC2-amino-6-(2-chloro-5-methylanilino)-3-fluorobenzoic acid
SMILESCc1ccc(Cl)c(Nc2ccc(F)c(N)c2C(=O)O)c1
InChIInChI=1S/C14H12ClFN2O2/c1-7-2-3-8(15)11(6-7)18-10-5-4-9(16)13(17)12(10)14(19)20/h2-6,18H,17H2,1H3,(H,19,20)
InChIKeyBZIKQRSDPJVYEB-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.81
Rot. Bonds3

About 2-amino-6-(2-chloro-5-methylanilino)-3-fluorobenzoic acid

2-amino-6-(2-chloro-5-methylanilino)-3-fluorobenzoic acid (PubChem CID 107636111) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-amino-6-(2-chloro-5-methylanilino)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-amino-6-(2-chloro-5-methylanilino)-3-fluorobenzoic acid
PubChem CID107636111
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name2-amino-6-(2-chloro-5-methylanilino)-3-fluorobenzoic acid
SMILESCc1ccc(Cl)c(Nc2ccc(F)c(N)c2C(=O)O)c1
InChIInChI=1S/C14H12ClFN2O2/c1-7-2-3-8(15)11(6-7)18-10-5-4-9(16)13(17)12(10)14(19)20/h2-6,18H,17H2,1H3,(H,19,20)
InChIKeyBZIKQRSDPJVYEB-UHFFFAOYSA-N
XLogP3.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.81
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-(2-chloro-4-methylanilino)-3-fluorobenzoic acid
CID 83215891
2-amino-6-(3-chloro-4-fluoroanilino)-3-fluorobenzoic acid
CID 83215734
2-amino-6-(3-chloro-2-fluoroanilino)-3-fluorobenzoic acid
CID 83214767
2-amino-6-(5-bromo-4-fluoro-2-methylanilino)-3-fluorobenzoic acid
CID 107592847
2-(2,5-dichloroanilino)-5-methylbenzoic acid
CID 63528661
2-amino-6-(5-bromo-2-fluoroanilino)-3-fluorobenzoic acid
CID 83215104
2-amino-6-(4-bromo-3,5-dimethylanilino)-3-fluorobenzoic acid
CID 107575441
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-3-fluoro-6-(4-methoxyanilino)benzoic acid
CID 83215965
2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 107636152
5-chloro-2-(2-chloro-5-methylanilino)benzenecarbothioamide
CID 107635512

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-chloro-5-methylanilino)-3-fluorobenzoic acid?
The IUPAC name of 2-amino-6-(2-chloro-5-methylanilino)-3-fluorobenzoic acid (CID 107636111) is 2-amino-6-(2-chloro-5-methylanilino)-3-fluorobenzoic acid.
What is the SMILES notation for 2-amino-6-(2-chloro-5-methylanilino)-3-fluorobenzoic acid?
The canonical SMILES for 2-amino-6-(2-chloro-5-methylanilino)-3-fluorobenzoic acid is Cc1ccc(Cl)c(Nc2ccc(F)c(N)c2C(=O)O)c1.
What is the InChIKey of 2-amino-6-(2-chloro-5-methylanilino)-3-fluorobenzoic acid?
The InChIKey is BZIKQRSDPJVYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-7-2-3-8(15)11(6-7)18-10-5-4-9(16)13(17)12(10)14(19)20/h2-6,18H,17H2,1H3,(H,19,20).
What are the key properties of 2-amino-6-(2-chloro-5-methylanilino)-3-fluorobenzoic acid?
2-amino-6-(2-chloro-5-methylanilino)-3-fluorobenzoic acid has a molecular weight of 294.71 g/mol, XLogP of 3.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-chloro-5-methylanilino)-3-fluorobenzoic acid is sourced from PubChem (CID 107636111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).