3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid

C14H13FN2O3 — CID 115935321

IUPAC3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid
SMILESCOc1ccc(F)c(Nc2c(N)cccc2C(=O)O)c1
InChIInChI=1S/C14H13FN2O3/c1-20-8-5-6-10(15)12(7-8)17-13-9(14(18)19)3-2-4-11(13)16/h2-7,17H,16H2,1H3,(H,18,19)
InChIKeyKJWDZIXNBBJUQW-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.86
Rot. Bonds4

About 3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid

3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid (PubChem CID 115935321) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid.

Molecular Properties

Compound Name3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid
PubChem CID115935321
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid
SMILESCOc1ccc(F)c(Nc2c(N)cccc2C(=O)O)c1
InChIInChI=1S/C14H13FN2O3/c1-20-8-5-6-10(15)12(7-8)17-13-9(14(18)19)3-2-4-11(13)16/h2-7,17H,16H2,1H3,(H,18,19)
InChIKeyKJWDZIXNBBJUQW-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-(2,4-dimethoxyanilino)-3-fluorobenzoic acid
CID 62648655
3-amino-2-chloro-N-(2-fluoro-5-methoxyphenyl)benzamide
CID 115930606
5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide
CID 107196316
3-amino-2-(3-chloro-4-fluoroanilino)benzoic acid
CID 112577948
N-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide
CID 103747463
5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid
CID 114919808
methyl 3-amino-2-(5-bromo-4-fluoro-2-methylanilino)benzoate
CID 107593607
methyl 3-amino-2-(4-methoxyanilino)benzoate
CID 115933795
2-fluoro-5-(3-methoxyanilino)benzoic acid
CID 82537034
1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide
CID 138619993
3-amino-2-(3,5-dimethoxyanilino)benzamide
CID 115933905
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid?
The IUPAC name of 3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid (CID 115935321) is 3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid.
What is the SMILES notation for 3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid?
The canonical SMILES for 3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid is COc1ccc(F)c(Nc2c(N)cccc2C(=O)O)c1.
What is the InChIKey of 3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid?
The InChIKey is KJWDZIXNBBJUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-20-8-5-6-10(15)12(7-8)17-13-9(14(18)19)3-2-4-11(13)16/h2-7,17H,16H2,1H3,(H,18,19).
What are the key properties of 3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid?
3-amino-2-(2-fluoro-5-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 3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid is sourced from PubChem (CID 115935321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).