2-amino-5-(2-bromo-5-fluoroanilino)benzamide

C13H11BrFN3O — CID 107637874

IUPAC2-amino-5-(2-bromo-5-fluoroanilino)benzamide
SMILESNC(=O)c1cc(Nc2cc(F)ccc2Br)ccc1N
InChIInChI=1S/C13H11BrFN3O/c14-10-3-1-7(15)5-12(10)18-8-2-4-11(16)9(6-8)13(17)19/h1-6,18H,16H2,(H2,17,19)
InChIKeyOTKIAFZVWXFWSI-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.01
Rot. Bonds3

About 2-amino-5-(2-bromo-5-fluoroanilino)benzamide

2-amino-5-(2-bromo-5-fluoroanilino)benzamide (PubChem CID 107637874) has the molecular formula C13H11BrFN3O and a molecular weight of 324.15 g/mol. Its IUPAC name is 2-amino-5-(2-bromo-5-fluoroanilino)benzamide.

Molecular Properties

Compound Name2-amino-5-(2-bromo-5-fluoroanilino)benzamide
PubChem CID107637874
Molecular FormulaC13H11BrFN3O
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC Name2-amino-5-(2-bromo-5-fluoroanilino)benzamide
SMILESNC(=O)c1cc(Nc2cc(F)ccc2Br)ccc1N
InChIInChI=1S/C13H11BrFN3O/c14-10-3-1-7(15)5-12(10)18-8-2-4-11(16)9(6-8)13(17)19/h1-6,18H,16H2,(H2,17,19)
InChIKeyOTKIAFZVWXFWSI-UHFFFAOYSA-N
XLogP3.01
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.01
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

4-N-(2-bromo-5-fluorophenyl)-2-methylbenzene-1,4-diamine
CID 107634431
4-amino-2-(2-bromo-5-fluoroanilino)benzamide
CID 107634543
2-amino-5-(2,5-difluoroanilino)benzoic acid
CID 55021325
2-amino-5-(4-bromoanilino)benzamide
CID 61306724
2-amino-5-(2,3-difluoroanilino)benzamide
CID 61306978
1-[2-amino-5-(2,5-difluoroanilino)phenyl]ethanone
CID 104612267
2-amino-5-(4-fluoroanilino)benzoic acid
CID 54887987
2-amino-5-(2-fluoro-5-methylanilino)benzamide
CID 61307828
2-amino-3-(2-bromo-5-fluoroanilino)benzoic acid
CID 107637907
1-[2-amino-5-(5-fluoro-2-methylanilino)phenyl]ethanone
CID 104612298
2-amino-5-(2-bromo-5-methylanilino)benzoic acid
CID 82766993
2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine
CID 55067874

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-bromo-5-fluoroanilino)benzamide?
The IUPAC name of 2-amino-5-(2-bromo-5-fluoroanilino)benzamide (CID 107637874) is 2-amino-5-(2-bromo-5-fluoroanilino)benzamide.
What is the SMILES notation for 2-amino-5-(2-bromo-5-fluoroanilino)benzamide?
The canonical SMILES for 2-amino-5-(2-bromo-5-fluoroanilino)benzamide is NC(=O)c1cc(Nc2cc(F)ccc2Br)ccc1N.
What is the InChIKey of 2-amino-5-(2-bromo-5-fluoroanilino)benzamide?
The InChIKey is OTKIAFZVWXFWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O/c14-10-3-1-7(15)5-12(10)18-8-2-4-11(16)9(6-8)13(17)19/h1-6,18H,16H2,(H2,17,19).
What are the key properties of 2-amino-5-(2-bromo-5-fluoroanilino)benzamide?
2-amino-5-(2-bromo-5-fluoroanilino)benzamide has a molecular weight of 324.15 g/mol, XLogP of 3.01, 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-bromo-5-fluoroanilino)benzamide is sourced from PubChem (CID 107637874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).