2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide

C15H16BrN3O — CID 107577603

IUPAC2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide
SMILESCc1cc(Nc2ccc(N)c(C(N)=O)c2)cc(C)c1Br
InChIInChI=1S/C15H16BrN3O/c1-8-5-11(6-9(2)14(8)16)19-10-3-4-13(17)12(7-10)15(18)20/h3-7,19H,17H2,1-2H3,(H2,18,20)
InChIKeyRJFFVBBERZHCEP-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.49
Rot. Bonds3

About 2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide

2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide (PubChem CID 107577603) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide.

Molecular Properties

Compound Name2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide
PubChem CID107577603
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide
SMILESCc1cc(Nc2ccc(N)c(C(N)=O)c2)cc(C)c1Br
InChIInChI=1S/C15H16BrN3O/c1-8-5-11(6-9(2)14(8)16)19-10-3-4-13(17)12(7-10)15(18)20/h3-7,19H,17H2,1-2H3,(H2,18,20)
InChIKeyRJFFVBBERZHCEP-UHFFFAOYSA-N
XLogP3.49
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.49
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-fluoro-3-methylanilino)benzamide
CID 62814148
2-amino-5-(4-bromoanilino)benzamide
CID 61306724
2-amino-5-(3-methylanilino)benzamide
CID 61307453
2-amino-5-(2,4,6-trimethylanilino)benzamide
CID 61313467
2-amino-5-(4-bromo-3-methylanilino)benzoic acid
CID 60990156
2-amino-5-(4-methoxyanilino)benzamide
CID 61311885
4-(4-bromo-3,5-dimethylanilino)-2-methylbenzoic acid
CID 107575463
2-amino-5-(4-bromo-3-methoxyanilino)benzamide
CID 82859808
2-amino-5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]benzamide
CID 114176569
2-amino-5-(3-methoxyanilino)benzamide
CID 61307103
5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide
CID 107571322
2-amino-5-(4-bromoanilino)benzoic acid
CID 54887896

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide?
The IUPAC name of 2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide (CID 107577603) is 2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide.
What is the SMILES notation for 2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide?
The canonical SMILES for 2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide is Cc1cc(Nc2ccc(N)c(C(N)=O)c2)cc(C)c1Br.
What is the InChIKey of 2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide?
The InChIKey is RJFFVBBERZHCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-8-5-11(6-9(2)14(8)16)19-10-3-4-13(17)12(7-10)15(18)20/h3-7,19H,17H2,1-2H3,(H2,18,20).
What are the key properties of 2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide?
2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide has a molecular weight of 334.22 g/mol, XLogP of 3.49, 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-bromo-3,5-dimethylanilino)benzamide is sourced from PubChem (CID 107577603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).