2-amino-5-(4-bromoanilino)benzamide

C13H12BrN3O — CID 61306724

IUPAC2-amino-5-(4-bromoanilino)benzamide
SMILESNC(=O)c1cc(Nc2ccc(Br)cc2)ccc1N
InChIInChI=1S/C13H12BrN3O/c14-8-1-3-9(4-2-8)17-10-5-6-12(15)11(7-10)13(16)18/h1-7,17H,15H2,(H2,16,18)
InChIKeySBAUGKNEWIWXLD-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.87
Rot. Bonds3

About 2-amino-5-(4-bromoanilino)benzamide

2-amino-5-(4-bromoanilino)benzamide (PubChem CID 61306724) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 2-amino-5-(4-bromoanilino)benzamide.

Molecular Properties

Compound Name2-amino-5-(4-bromoanilino)benzamide
PubChem CID61306724
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name2-amino-5-(4-bromoanilino)benzamide
SMILESNC(=O)c1cc(Nc2ccc(Br)cc2)ccc1N
InChIInChI=1S/C13H12BrN3O/c14-8-1-3-9(4-2-8)17-10-5-6-12(15)11(7-10)13(16)18/h1-7,17H,15H2,(H2,16,18)
InChIKeySBAUGKNEWIWXLD-UHFFFAOYSA-N
XLogP2.87
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.87
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

2-amino-5-(4-bromoanilino)benzoic acid
CID 54887896
2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide
CID 107577603
2-amino-5-(3-methylanilino)benzamide
CID 61307453
2-amino-5-(4-methoxyanilino)benzamide
CID 61311885
2-amino-4-(4-bromoanilino)benzoic acid
CID 104500151
2-amino-5-(4-bromo-3-methoxyanilino)benzamide
CID 82859808
2-amino-5-(4-fluoro-3-methylanilino)benzamide
CID 62814148
4-amino-3-(4-bromoanilino)benzamide
CID 63356088
5-amino-2-(4-bromoanilino)benzamide
CID 55125298
2-amino-5-(2,4,6-trimethylanilino)benzamide
CID 61313467
2-amino-5-(3-methoxyanilino)benzamide
CID 61307103
2-amino-5-(2-bromo-5-fluoroanilino)benzamide
CID 107637874

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-bromoanilino)benzamide?
The IUPAC name of 2-amino-5-(4-bromoanilino)benzamide (CID 61306724) is 2-amino-5-(4-bromoanilino)benzamide.
What is the SMILES notation for 2-amino-5-(4-bromoanilino)benzamide?
The canonical SMILES for 2-amino-5-(4-bromoanilino)benzamide is NC(=O)c1cc(Nc2ccc(Br)cc2)ccc1N.
What is the InChIKey of 2-amino-5-(4-bromoanilino)benzamide?
The InChIKey is SBAUGKNEWIWXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-8-1-3-9(4-2-8)17-10-5-6-12(15)11(7-10)13(16)18/h1-7,17H,15H2,(H2,16,18).
What are the key properties of 2-amino-5-(4-bromoanilino)benzamide?
2-amino-5-(4-bromoanilino)benzamide has a molecular weight of 306.16 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-bromoanilino)benzamide is sourced from PubChem (CID 61306724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).