N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide

C9H6BrClN2O — CID 43347407

IUPACN-(4-bromo-2-chlorophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C9H6BrClN2O/c10-6-1-2-8(7(11)5-6)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14)
InChIKeyVTPQODXVAGFKKL-UHFFFAOYSA-N
MW273.52 g/mol
LogP2.95
Rot. Bonds2

About N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide

N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide (PubChem CID 43347407) has the molecular formula C9H6BrClN2O and a molecular weight of 273.52 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-cyanoacetamide
PubChem CID43347407
Molecular FormulaC9H6BrClN2O
Molecular Weight273.52 g/mol
Exact Mass271.94
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C9H6BrClN2O/c10-6-1-2-8(7(11)5-6)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14)
InChIKeyVTPQODXVAGFKKL-UHFFFAOYSA-N
XLogP2.95
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(2,4-dichlorophenyl)acetamide
CID 693146
N-(4-bromo-2-sulfanylphenyl)-2-cyanoacetamide
CID 168523579
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
methyl 3-chloro-4-[(2-cyanoacetyl)amino]benzoate
CID 83311952
N-(4-bromo-2-chlorophenyl)-2-(4-bromophenyl)acetamide
CID 7924446
N-(4-bromo-2-chlorophenyl)-2-(4-chlorophenyl)acetamide
CID 1310243
N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide
CID 81270486
N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide
CID 112722691
4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
(4-bromo-2-chlorophenyl)urea
CID 60759349
3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide
CID 64684964
N-(4-bromo-2-chlorophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741026

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide (CID 43347407) is N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide is N#CCC(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide?
The InChIKey is VTPQODXVAGFKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O/c10-6-1-2-8(7(11)5-6)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide?
N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide has a molecular weight of 273.52 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide is sourced from PubChem (CID 43347407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).