N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide

C14H9Br2N3O — CID 107971053

IUPACN-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide
SMILESN#Cc1ccc(NC(=O)c2cc(Br)cc(Br)c2)c(N)c1
InChIInChI=1S/C14H9Br2N3O/c15-10-4-9(5-11(16)6-10)14(20)19-13-2-1-8(7-17)3-12(13)18/h1-6H,18H2,(H,19,20)
InChIKeyHXYAWCAIVQKVEY-UHFFFAOYSA-N
MW395.05 g/mol
LogP3.92
Rot. Bonds2

About N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide

N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide (PubChem CID 107971053) has the molecular formula C14H9Br2N3O and a molecular weight of 395.05 g/mol. Its IUPAC name is N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide
PubChem CID107971053
Molecular FormulaC14H9Br2N3O
Molecular Weight395.05 g/mol
Exact Mass392.91
IUPAC NameN-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide
SMILESN#Cc1ccc(NC(=O)c2cc(Br)cc(Br)c2)c(N)c1
InChIInChI=1S/C14H9Br2N3O/c15-10-4-9(5-11(16)6-10)14(20)19-13-2-1-8(7-17)3-12(13)18/h1-6H,18H2,(H,19,20)
InChIKeyHXYAWCAIVQKVEY-UHFFFAOYSA-N
XLogP3.92
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.05
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-cyanophenyl)-3-bromo-5-fluorobenzamide
CID 78965489
N-(2-amino-4-cyanophenyl)-4-iodobenzamide
CID 78965375
N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide
CID 107948846
N-(2-amino-4-cyanophenyl)-4-methylbenzamide
CID 78965634
3-bromo-N-(4-cyano-2-fluorophenyl)-5-methylbenzamide
CID 104851539
3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide
CID 104852225
N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 78965367
N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide
CID 78965630
N-(2-amino-4-cyanophenyl)-2-bromo-5-fluorobenzamide
CID 78965687
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 81287674
N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide
CID 78965394

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide?
The IUPAC name of N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide (CID 107971053) is N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide.
What is the SMILES notation for N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide?
The canonical SMILES for N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide is N#Cc1ccc(NC(=O)c2cc(Br)cc(Br)c2)c(N)c1.
What is the InChIKey of N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide?
The InChIKey is HXYAWCAIVQKVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3O/c15-10-4-9(5-11(16)6-10)14(20)19-13-2-1-8(7-17)3-12(13)18/h1-6H,18H2,(H,19,20).
What are the key properties of N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide?
N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide has a molecular weight of 395.05 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide is sourced from PubChem (CID 107971053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).