N-(4-amino-2-bromophenyl)-4-cyanobenzamide

C14H10BrN3O — CID 43549549

IUPACN-(4-amino-2-bromophenyl)-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(N)cc2Br)cc1
InChIInChI=1S/C14H10BrN3O/c15-12-7-11(17)5-6-13(12)18-14(19)10-3-1-9(8-16)2-4-10/h1-7H,17H2,(H,18,19)
InChIKeyTTXHAIQMQHVODF-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.16
Rot. Bonds2

About N-(4-amino-2-bromophenyl)-4-cyanobenzamide

N-(4-amino-2-bromophenyl)-4-cyanobenzamide (PubChem CID 43549549) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-4-cyanobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-4-cyanobenzamide
PubChem CID43549549
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC NameN-(4-amino-2-bromophenyl)-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(N)cc2Br)cc1
InChIInChI=1S/C14H10BrN3O/c15-12-7-11(17)5-6-13(12)18-14(19)10-3-1-9(8-16)2-4-10/h1-7H,17H2,(H,18,19)
InChIKeyTTXHAIQMQHVODF-UHFFFAOYSA-N
XLogP3.16
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-bromophenyl)-4-cyanobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 115297136
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
N-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
N-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 43376506
N-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide
CID 104578908
N-(4-amino-3-bromophenyl)-4-cyanobenzamide
CID 82861639
3-bromo-N-(2-bromo-4-cyanophenyl)-4-chlorobenzamide
CID 103841848
N-(4-amino-2-bromophenyl)-3,5-dimethoxybenzamide
CID 43549583
N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzamide
CID 104756918
N-(2-bromo-4-cyanophenyl)-1H-pyrazole-4-carboxamide
CID 61259361
N-(2-bromo-4-cyanophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998397
N-(4-amino-2-cyanophenyl)-4-iodobenzamide
CID 43548881

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-4-cyanobenzamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-4-cyanobenzamide (CID 43549549) is N-(4-amino-2-bromophenyl)-4-cyanobenzamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-4-cyanobenzamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-4-cyanobenzamide is N#Cc1ccc(C(=O)Nc2ccc(N)cc2Br)cc1.
What is the InChIKey of N-(4-amino-2-bromophenyl)-4-cyanobenzamide?
The InChIKey is TTXHAIQMQHVODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-12-7-11(17)5-6-13(12)18-14(19)10-3-1-9(8-16)2-4-10/h1-7H,17H2,(H,18,19).
What are the key properties of N-(4-amino-2-bromophenyl)-4-cyanobenzamide?
N-(4-amino-2-bromophenyl)-4-cyanobenzamide has a molecular weight of 316.16 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-4-cyanobenzamide is sourced from PubChem (CID 43549549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).