2-amino-5-(2,3-difluoroanilino)benzamide

C13H11F2N3O — CID 61306978

IUPAC2-amino-5-(2,3-difluoroanilino)benzamide
SMILESNC(=O)c1cc(Nc2cccc(F)c2F)ccc1N
InChIInChI=1S/C13H11F2N3O/c14-9-2-1-3-11(12(9)15)18-7-4-5-10(16)8(6-7)13(17)19/h1-6,18H,16H2,(H2,17,19)
InChIKeyRBPUYICNCIQCMC-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.39
Rot. Bonds3

About 2-amino-5-(2,3-difluoroanilino)benzamide

2-amino-5-(2,3-difluoroanilino)benzamide (PubChem CID 61306978) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-amino-5-(2,3-difluoroanilino)benzamide.

Molecular Properties

Compound Name2-amino-5-(2,3-difluoroanilino)benzamide
PubChem CID61306978
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-amino-5-(2,3-difluoroanilino)benzamide
SMILESNC(=O)c1cc(Nc2cccc(F)c2F)ccc1N
InChIInChI=1S/C13H11F2N3O/c14-9-2-1-3-11(12(9)15)18-7-4-5-10(16)8(6-7)13(17)19/h1-6,18H,16H2,(H2,17,19)
InChIKeyRBPUYICNCIQCMC-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,3-difluoroanilino)benzamide?
The IUPAC name of 2-amino-5-(2,3-difluoroanilino)benzamide (CID 61306978) is 2-amino-5-(2,3-difluoroanilino)benzamide.
What is the SMILES notation for 2-amino-5-(2,3-difluoroanilino)benzamide?
The canonical SMILES for 2-amino-5-(2,3-difluoroanilino)benzamide is NC(=O)c1cc(Nc2cccc(F)c2F)ccc1N.
What is the InChIKey of 2-amino-5-(2,3-difluoroanilino)benzamide?
The InChIKey is RBPUYICNCIQCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c14-9-2-1-3-11(12(9)15)18-7-4-5-10(16)8(6-7)13(17)19/h1-6,18H,16H2,(H2,17,19).
What are the key properties of 2-amino-5-(2,3-difluoroanilino)benzamide?
2-amino-5-(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 2-amino-5-(2,3-difluoroanilino)benzamide is sourced from PubChem (CID 61306978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).