N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide

C11H8BrN3O — CID 82708389

IUPACN-(4-bromo-2-cyanophenyl)-2-cyanopropanamide
SMILESCC(C#N)C(=O)Nc1ccc(Br)cc1C#N
InChIInChI=1S/C11H8BrN3O/c1-7(5-13)11(16)15-10-3-2-9(12)4-8(10)6-14/h2-4,7H,1H3,(H,15,16)
InChIKeyHRHMYSVCQVGCTE-UHFFFAOYSA-N
MW278.11 g/mol
LogP2.42
Rot. Bonds2

About N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide

N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide (PubChem CID 82708389) has the molecular formula C11H8BrN3O and a molecular weight of 278.11 g/mol. Its IUPAC name is N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyanophenyl)-2-cyanopropanamide
PubChem CID82708389
Molecular FormulaC11H8BrN3O
Molecular Weight278.11 g/mol
Exact Mass276.99
IUPAC NameN-(4-bromo-2-cyanophenyl)-2-cyanopropanamide
SMILESCC(C#N)C(=O)Nc1ccc(Br)cc1C#N
InChIInChI=1S/C11H8BrN3O/c1-7(5-13)11(16)15-10-3-2-9(12)4-8(10)6-14/h2-4,7H,1H3,(H,15,16)
InChIKeyHRHMYSVCQVGCTE-UHFFFAOYSA-N
XLogP2.42
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide 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

N-[(4-bromo-2-cyanophenyl)carbamoyl]-2-chloropropanamide
CID 82703908
3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide
CID 106113476
(4-bromo-2-cyanophenyl)urea
CID 82708837
3-(4-bromo-2-cyanophenyl)-1,1-dimethylurea
CID 82708797
N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide
CID 82707700
(2S)-2-amino-N-(4-bromo-2-cyanophenyl)hexanamide
CID 107146322
2-(4-bromo-2-cyanoanilino)propanoic acid
CID 82708154
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbutanamide
CID 82708856
(E)-N-(4-bromo-2-cyanophenyl)but-2-enamide
CID 82708502
2-amino-N-(4-bromo-2-cyanophenyl)-2-methylpropanamide
CID 82707939
N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide
CID 103020238
2-[(4-bromo-2-cyanophenyl)carbamoylamino]acetic acid
CID 82704504

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide?
The IUPAC name of N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide (CID 82708389) is N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide.
What is the SMILES notation for N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide?
The canonical SMILES for N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide is CC(C#N)C(=O)Nc1ccc(Br)cc1C#N.
What is the InChIKey of N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide?
The InChIKey is HRHMYSVCQVGCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O/c1-7(5-13)11(16)15-10-3-2-9(12)4-8(10)6-14/h2-4,7H,1H3,(H,15,16).
What are the key properties of N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide?
N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide has a molecular weight of 278.11 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide is sourced from PubChem (CID 82708389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).