3-amino-2-(3-fluoroanilino)benzamide

C13H12FN3O — CID 112577784

IUPAC3-amino-2-(3-fluoroanilino)benzamide
SMILESNC(=O)c1cccc(N)c1Nc1cccc(F)c1
InChIInChI=1S/C13H12FN3O/c14-8-3-1-4-9(7-8)17-12-10(13(16)18)5-2-6-11(12)15/h1-7,17H,15H2,(H2,16,18)
InChIKeyWKEFLGWSJPDBKT-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.25
Rot. Bonds3

About 3-amino-2-(3-fluoroanilino)benzamide

3-amino-2-(3-fluoroanilino)benzamide (PubChem CID 112577784) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 3-amino-2-(3-fluoroanilino)benzamide.

Molecular Properties

Compound Name3-amino-2-(3-fluoroanilino)benzamide
PubChem CID112577784
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name3-amino-2-(3-fluoroanilino)benzamide
SMILESNC(=O)c1cccc(N)c1Nc1cccc(F)c1
InChIInChI=1S/C13H12FN3O/c14-8-3-1-4-9(7-8)17-12-10(13(16)18)5-2-6-11(12)15/h1-7,17H,15H2,(H2,16,18)
InChIKeyWKEFLGWSJPDBKT-UHFFFAOYSA-N
XLogP2.25
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2-(3-fluoroanilino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-(3-chloro-4-fluoroanilino)benzamide
CID 112577949
3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide
CID 107645811
3-amino-2-(3-ethoxyanilino)benzamide
CID 115934510
3-amino-2-(4-methylsulfanylanilino)benzamide
CID 112577711
3-amino-2-(3-iodo-4-methylanilino)benzamide
CID 114257938
3-amino-2-(2-cyano-4-fluoroanilino)benzamide
CID 115935439
3-amino-2-(3,5-dimethoxyanilino)benzamide
CID 115933905
3-amino-2-(2,3-difluoroanilino)benzamide
CID 112578278
1-[2-amino-4-(3-fluoroanilino)phenyl]ethanone
CID 104528314
3-amino-2-[(5-fluoro-3-pyridinyl)amino]-N-methylbenzamide
CID 58459128
3-amino-2-(3-chloro-4-fluoroanilino)benzoic acid
CID 112577948
(3-fluoroanilino)thiourea
CID 1482872

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-fluoroanilino)benzamide?
The IUPAC name of 3-amino-2-(3-fluoroanilino)benzamide (CID 112577784) is 3-amino-2-(3-fluoroanilino)benzamide.
What is the SMILES notation for 3-amino-2-(3-fluoroanilino)benzamide?
The canonical SMILES for 3-amino-2-(3-fluoroanilino)benzamide is NC(=O)c1cccc(N)c1Nc1cccc(F)c1.
What is the InChIKey of 3-amino-2-(3-fluoroanilino)benzamide?
The InChIKey is WKEFLGWSJPDBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-8-3-1-4-9(7-8)17-12-10(13(16)18)5-2-6-11(12)15/h1-7,17H,15H2,(H2,16,18).
What are the key properties of 3-amino-2-(3-fluoroanilino)benzamide?
3-amino-2-(3-fluoroanilino)benzamide has a molecular weight of 245.26 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-fluoroanilino)benzamide is sourced from PubChem (CID 112577784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).