2-amino-5-(4-fluoroanilino)benzoic acid

C13H11FN2O2 — CID 54887987

IUPAC2-amino-5-(4-fluoroanilino)benzoic acid
SMILESNc1ccc(Nc2ccc(F)cc2)cc1C(=O)O
InChIInChI=1S/C13H11FN2O2/c14-8-1-3-9(4-2-8)16-10-5-6-12(15)11(7-10)13(17)18/h1-7,16H,15H2,(H,17,18)
InChIKeyTYVIZXYAPILKDU-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.85
Rot. Bonds3

About 2-amino-5-(4-fluoroanilino)benzoic acid

2-amino-5-(4-fluoroanilino)benzoic acid (PubChem CID 54887987) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-amino-5-(4-fluoroanilino)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(4-fluoroanilino)benzoic acid
PubChem CID54887987
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name2-amino-5-(4-fluoroanilino)benzoic acid
SMILESNc1ccc(Nc2ccc(F)cc2)cc1C(=O)O
InChIInChI=1S/C13H11FN2O2/c14-8-1-3-9(4-2-8)16-10-5-6-12(15)11(7-10)13(17)18/h1-7,16H,15H2,(H,17,18)
InChIKeyTYVIZXYAPILKDU-UHFFFAOYSA-N
XLogP2.85
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.85
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-5-(4-bromoanilino)benzoic acid
CID 54887896
2-amino-5-(2,5-difluoroanilino)benzoic acid
CID 55021325
2-amino-5-(4-iodoanilino)benzoic acid
CID 60988591
2-amino-5-[[3-carboxy-4-(4-fluoroanilino)phenyl]methyl]benzoic acid
CID 25051400
2-amino-5-(4-methylsulfonylanilino)benzoic acid
CID 60989498
2-amino-5-(4-bromo-3-methylanilino)benzoic acid
CID 60990156
2-amino-5-(5-bromo-2-fluoroanilino)benzoic acid
CID 55024972
2-amino-4-(4-bromoanilino)benzoic acid
CID 104500151
2-amino-5-(2-bromo-5-fluoroanilino)benzamide
CID 107637874
5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 43712158
2-amino-5-(4-bromoanilino)benzamide
CID 61306724
2-amino-5-(4-fluoro-3-methylanilino)benzamide
CID 62814148

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-fluoroanilino)benzoic acid?
The IUPAC name of 2-amino-5-(4-fluoroanilino)benzoic acid (CID 54887987) is 2-amino-5-(4-fluoroanilino)benzoic acid.
What is the SMILES notation for 2-amino-5-(4-fluoroanilino)benzoic acid?
The canonical SMILES for 2-amino-5-(4-fluoroanilino)benzoic acid is Nc1ccc(Nc2ccc(F)cc2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(4-fluoroanilino)benzoic acid?
The InChIKey is TYVIZXYAPILKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-8-1-3-9(4-2-8)16-10-5-6-12(15)11(7-10)13(17)18/h1-7,16H,15H2,(H,17,18).
What are the key properties of 2-amino-5-(4-fluoroanilino)benzoic acid?
2-amino-5-(4-fluoroanilino)benzoic acid has a molecular weight of 246.24 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-fluoroanilino)benzoic acid is sourced from PubChem (CID 54887987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).