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

C13H12BrN3O — CID 55125298

IUPAC5-amino-2-(4-bromoanilino)benzamide
SMILESNC(=O)c1cc(N)ccc1Nc1ccc(Br)cc1
InChIInChI=1S/C13H12BrN3O/c14-8-1-4-10(5-2-8)17-12-6-3-9(15)7-11(12)13(16)18/h1-7,17H,15H2,(H2,16,18)
InChIKeySDBJNPVXJPESBB-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.87
Rot. Bonds3

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

5-amino-2-(4-bromoanilino)benzamide (PubChem CID 55125298) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 5-amino-2-(4-bromoanilino)benzamide.

Molecular Properties

Compound Name5-amino-2-(4-bromoanilino)benzamide
PubChem CID55125298
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name5-amino-2-(4-bromoanilino)benzamide
SMILESNC(=O)c1cc(N)ccc1Nc1ccc(Br)cc1
InChIInChI=1S/C13H12BrN3O/c14-8-1-4-10(5-2-8)17-12-6-3-9(15)7-11(12)13(16)18/h1-7,17H,15H2,(H2,16,18)
InChIKeySDBJNPVXJPESBB-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

5-amino-2-(4-bromo-3-methylanilino)benzamide
CID 61306866
5-amino-2-(3,4-dimethylanilino)benzamide
CID 61307817
5-amino-2-(4-propylanilino)benzamide
CID 61305335
2-amino-5-(4-bromoanilino)benzamide
CID 61306724
5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide
CID 102854796
5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide
CID 107586461
5-amino-2-(2-chloro-4-fluoroanilino)benzamide
CID 61312450
5-amino-2-(4-fluoro-3-methoxyanilino)benzamide
CID 114840634
5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid
CID 114890010
4-amino-3-(4-bromoanilino)benzamide
CID 63356088
5-amino-2-(2-ethylanilino)benzamide
CID 61306914
5-amino-2-(5-bromo-2-fluoroanilino)benzoic acid
CID 54888186

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-bromoanilino)benzamide?
The IUPAC name of 5-amino-2-(4-bromoanilino)benzamide (CID 55125298) is 5-amino-2-(4-bromoanilino)benzamide.
What is the SMILES notation for 5-amino-2-(4-bromoanilino)benzamide?
The canonical SMILES for 5-amino-2-(4-bromoanilino)benzamide is NC(=O)c1cc(N)ccc1Nc1ccc(Br)cc1.
What is the InChIKey of 5-amino-2-(4-bromoanilino)benzamide?
The InChIKey is SDBJNPVXJPESBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-8-1-4-10(5-2-8)17-12-6-3-9(15)7-11(12)13(16)18/h1-7,17H,15H2,(H2,16,18).
What are the key properties of 5-amino-2-(4-bromoanilino)benzamide?
5-amino-2-(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 5-amino-2-(4-bromoanilino)benzamide is sourced from PubChem (CID 55125298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).