3-amino-2-(2,3-difluoroanilino)benzamide

C13H11F2N3O — CID 112578278

IUPAC3-amino-2-(2,3-difluoroanilino)benzamide
SMILESNC(=O)c1cccc(N)c1Nc1cccc(F)c1F
InChIInChI=1S/C13H11F2N3O/c14-8-4-2-6-10(11(8)15)18-12-7(13(17)19)3-1-5-9(12)16/h1-6,18H,16H2,(H2,17,19)
InChIKeyIPJFRNUCVGRSAB-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.39
Rot. Bonds3

About 3-amino-2-(2,3-difluoroanilino)benzamide

3-amino-2-(2,3-difluoroanilino)benzamide (PubChem CID 112578278) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 3-amino-2-(2,3-difluoroanilino)benzamide.

Molecular Properties

Compound Name3-amino-2-(2,3-difluoroanilino)benzamide
PubChem CID112578278
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name3-amino-2-(2,3-difluoroanilino)benzamide
SMILESNC(=O)c1cccc(N)c1Nc1cccc(F)c1F
InChIInChI=1S/C13H11F2N3O/c14-8-4-2-6-10(11(8)15)18-12-7(13(17)19)3-1-5-9(12)16/h1-6,18H,16H2,(H2,17,19)
InChIKeyIPJFRNUCVGRSAB-UHFFFAOYSA-N
XLogP2.39
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.39
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

3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide
CID 107645811
2-amino-5-(2,3-difluoroanilino)benzamide
CID 61306978
3-amino-2-(naphthalen-1-ylamino)benzamide
CID 115933816
3-amino-2-[2-(dimethylamino)anilino]benzamide
CID 106760653
3-amino-2-(3-fluoroanilino)benzamide
CID 112577784
3-amino-2-(3-chloro-4-fluoroanilino)benzamide
CID 112577949
3-amino-2-(quinolin-8-ylamino)benzamide
CID 115933843
3-amino-2-(2-cyano-4-fluoroanilino)benzamide
CID 115935439
3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide
CID 112579263
3-amino-2-(4-methylsulfanylanilino)benzamide
CID 112577711
3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide
CID 112575125
3-amino-2-(2-chloro-4-iodoanilino)benzamide
CID 107607634

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,3-difluoroanilino)benzamide?
The IUPAC name of 3-amino-2-(2,3-difluoroanilino)benzamide (CID 112578278) is 3-amino-2-(2,3-difluoroanilino)benzamide.
What is the SMILES notation for 3-amino-2-(2,3-difluoroanilino)benzamide?
The canonical SMILES for 3-amino-2-(2,3-difluoroanilino)benzamide is NC(=O)c1cccc(N)c1Nc1cccc(F)c1F.
What is the InChIKey of 3-amino-2-(2,3-difluoroanilino)benzamide?
The InChIKey is IPJFRNUCVGRSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c14-8-4-2-6-10(11(8)15)18-12-7(13(17)19)3-1-5-9(12)16/h1-6,18H,16H2,(H2,17,19).
What are the key properties of 3-amino-2-(2,3-difluoroanilino)benzamide?
3-amino-2-(2,3-difluoroanilino)benzamide has a molecular weight of 263.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,3-difluoroanilino)benzamide is sourced from PubChem (CID 112578278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).