2-amino-5-(2,5-difluoroanilino)benzoic acid

C13H10F2N2O2 — CID 55021325

IUPAC2-amino-5-(2,5-difluoroanilino)benzoic acid
SMILESNc1ccc(Nc2cc(F)ccc2F)cc1C(=O)O
InChIInChI=1S/C13H10F2N2O2/c14-7-1-3-10(15)12(5-7)17-8-2-4-11(16)9(6-8)13(18)19/h1-6,17H,16H2,(H,18,19)
InChIKeyBGJHKYLYTWXJOL-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.99
Rot. Bonds3

About 2-amino-5-(2,5-difluoroanilino)benzoic acid

2-amino-5-(2,5-difluoroanilino)benzoic acid (PubChem CID 55021325) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2-amino-5-(2,5-difluoroanilino)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(2,5-difluoroanilino)benzoic acid
PubChem CID55021325
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name2-amino-5-(2,5-difluoroanilino)benzoic acid
SMILESNc1ccc(Nc2cc(F)ccc2F)cc1C(=O)O
InChIInChI=1S/C13H10F2N2O2/c14-7-1-3-10(15)12(5-7)17-8-2-4-11(16)9(6-8)13(18)19/h1-6,17H,16H2,(H,18,19)
InChIKeyBGJHKYLYTWXJOL-UHFFFAOYSA-N
XLogP2.99
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.99
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

1-[2-amino-5-(2,5-difluoroanilino)phenyl]ethanone
CID 104612267
2-amino-5-(5-bromo-2-fluoroanilino)benzoic acid
CID 55024972
2-amino-5-(4-fluoroanilino)benzoic acid
CID 54887987
4-(2,5-difluoroanilino)benzoic acid
CID 62231203
2-amino-5-(2-bromo-5-fluoroanilino)benzamide
CID 107637874
5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 43712158
1-[2-amino-5-(5-fluoro-2-methylanilino)phenyl]ethanone
CID 104612298
2-amino-5-(2-fluoro-5-methylanilino)benzamide
CID 61307828
2-amino-4-(2-chloro-5-fluoroanilino)benzoic acid
CID 107531021
2-amino-5-[[3-carboxy-4-(4-fluoroanilino)phenyl]methyl]benzoic acid
CID 25051400
2-amino-5-(4-bromoanilino)benzoic acid
CID 54887896
2-amino-5-(4-iodoanilino)benzoic acid
CID 60988591

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,5-difluoroanilino)benzoic acid?
The IUPAC name of 2-amino-5-(2,5-difluoroanilino)benzoic acid (CID 55021325) is 2-amino-5-(2,5-difluoroanilino)benzoic acid.
What is the SMILES notation for 2-amino-5-(2,5-difluoroanilino)benzoic acid?
The canonical SMILES for 2-amino-5-(2,5-difluoroanilino)benzoic acid is Nc1ccc(Nc2cc(F)ccc2F)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(2,5-difluoroanilino)benzoic acid?
The InChIKey is BGJHKYLYTWXJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-7-1-3-10(15)12(5-7)17-8-2-4-11(16)9(6-8)13(18)19/h1-6,17H,16H2,(H,18,19).
What are the key properties of 2-amino-5-(2,5-difluoroanilino)benzoic acid?
2-amino-5-(2,5-difluoroanilino)benzoic acid has a molecular weight of 264.23 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,5-difluoroanilino)benzoic acid is sourced from PubChem (CID 55021325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).