2-amino-4-bromo-N-[4-(dimethylamino)phenyl]benzamide

C15H16BrN3O — CID 79713794

IUPAC2-amino-4-bromo-N-[4-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(Br)cc2N)cc1
InChIInChI=1S/C15H16BrN3O/c1-19(2)12-6-4-11(5-7-12)18-15(20)13-8-3-10(16)9-14(13)17/h3-9H,17H2,1-2H3,(H,18,20)
InChIKeyROJJTMXCZXBULM-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.35
Rot. Bonds3

About 2-amino-4-bromo-N-[4-(dimethylamino)phenyl]benzamide

2-amino-4-bromo-N-[4-(dimethylamino)phenyl]benzamide (PubChem CID 79713794) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[4-(dimethylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-[4-(dimethylamino)phenyl]benzamide
PubChem CID79713794
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name2-amino-4-bromo-N-[4-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(Br)cc2N)cc1
InChIInChI=1S/C15H16BrN3O/c1-19(2)12-6-4-11(5-7-12)18-15(20)13-8-3-10(16)9-14(13)17/h3-9H,17H2,1-2H3,(H,18,20)
InChIKeyROJJTMXCZXBULM-UHFFFAOYSA-N
XLogP3.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-bromo-N-(4-methylsulfonylphenyl)benzamide
CID 79704047
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzamide
CID 79714244
2-amino-4-bromo-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 90317223
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
CID 79723333
2-amino-4-bromo-N-(4-hydroxy-2-methylphenyl)benzamide
CID 79723167
2-amino-4-bromo-N-(3-methylsulfonylphenyl)benzamide
CID 79704730
2-amino-4-bromo-N,N-dimethylbenzamide
CID 79714600
2-amino-4-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 79703749
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide
CID 63110560
methyl N-[4-[(4-bromo-2-fluorobenzoyl)amino]phenyl]-N-methylcarbamate
CID 60578589
1-[2-amino-5-[4-(dimethylamino)anilino]phenyl]ethanone
CID 104612418

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[4-(dimethylamino)phenyl]benzamide?
The IUPAC name of 2-amino-4-bromo-N-[4-(dimethylamino)phenyl]benzamide (CID 79713794) is 2-amino-4-bromo-N-[4-(dimethylamino)phenyl]benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-[4-(dimethylamino)phenyl]benzamide?
The canonical SMILES for 2-amino-4-bromo-N-[4-(dimethylamino)phenyl]benzamide is CN(C)c1ccc(NC(=O)c2ccc(Br)cc2N)cc1.
What is the InChIKey of 2-amino-4-bromo-N-[4-(dimethylamino)phenyl]benzamide?
The InChIKey is ROJJTMXCZXBULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-19(2)12-6-4-11(5-7-12)18-15(20)13-8-3-10(16)9-14(13)17/h3-9H,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-4-bromo-N-[4-(dimethylamino)phenyl]benzamide?
2-amino-4-bromo-N-[4-(dimethylamino)phenyl]benzamide has a molecular weight of 334.22 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-[4-(dimethylamino)phenyl]benzamide is sourced from PubChem (CID 79713794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).