N-(2-bromophenyl)-2-cyanoacetamide

C9H7BrN2O — CID 4154641

IUPACN-(2-bromophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccccc1Br
InChIInChI=1S/C9H7BrN2O/c10-7-3-1-2-4-8(7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13)
InChIKeyIBHCCLKPASINHW-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.30
Rot. Bonds2

About N-(2-bromophenyl)-2-cyanoacetamide

N-(2-bromophenyl)-2-cyanoacetamide (PubChem CID 4154641) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-cyanoacetamide
PubChem CID4154641
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC NameN-(2-bromophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccccc1Br
InChIInChI=1S/C9H7BrN2O/c10-7-3-1-2-4-8(7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13)
InChIKeyIBHCCLKPASINHW-UHFFFAOYSA-N
XLogP2.30
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4'-Bromoacetanilide
CID 7683
N-(4-Bromophenyl)-2-chloroacetamide
CID 17374
Lfm-A13
CID 54676905
2-Cyano-N-(2,5-dibromophenyl)-3-hydroxy-2-butenamide
CID 54686938
Acetamide, 2-cyano-N-phenyl-
CID 69296
2-Butenamide, N-(4-bromophenyl)-3-methyl-
CID 532095
N-(3-Bromophenyl)acetamide
CID 12123
N-(4-Bromophenyl)-2-iodoacetamide
CID 28665
2-Bromo-N-phenylpropionamide
CID 99113
n-(4-Bromophenyl)prop-2-enamide
CID 263609
3'-Bromopropionanilide
CID 806279
N-(4-Bromophenyl)-2,2-dimethylpropanamide
CID 520094

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-cyanoacetamide?
The IUPAC name of N-(2-bromophenyl)-2-cyanoacetamide (CID 4154641) is N-(2-bromophenyl)-2-cyanoacetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-cyanoacetamide?
The canonical SMILES for N-(2-bromophenyl)-2-cyanoacetamide is N#CCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-cyanoacetamide?
The InChIKey is IBHCCLKPASINHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-7-3-1-2-4-8(7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13).
What are the key properties of N-(2-bromophenyl)-2-cyanoacetamide?
N-(2-bromophenyl)-2-cyanoacetamide has a molecular weight of 239.07 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-cyanoacetamide is sourced from PubChem (CID 4154641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).