N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide

C9H6BrClN2O — CID 81270486

IUPACN-(2-bromo-5-chlorophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C9H6BrClN2O/c10-7-2-1-6(11)5-8(7)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14)
InChIKeyMKLZXYJUAOJTFI-UHFFFAOYSA-N
MW273.52 g/mol
LogP2.95
Rot. Bonds2

About N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide

N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide (PubChem CID 81270486) has the molecular formula C9H6BrClN2O and a molecular weight of 273.52 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-2-cyanoacetamide
PubChem CID81270486
Molecular FormulaC9H6BrClN2O
Molecular Weight273.52 g/mol
Exact Mass271.94
IUPAC NameN-(2-bromo-5-chlorophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C9H6BrClN2O/c10-7-2-1-6(11)5-8(7)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14)
InChIKeyMKLZXYJUAOJTFI-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

N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide
CID 43438521
N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide
CID 83317310
2-cyano-N-(2,4-dichlorophenyl)acetamide
CID 693146
N-(2-bromo-5-chlorophenyl)-3-chloropropanamide
CID 81263666
N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide
CID 43347407
2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide
CID 168520371
N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
CID 107790761
N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide
CID 104778645
N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide
CID 103020720
N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide
CID 81268674
N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide
CID 81271572
N-(4-chloro-5-fluoro-2-hydroxyphenyl)-2-cyanoacetamide
CID 168522906

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide (CID 81270486) is N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide is N#CCC(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide?
The InChIKey is MKLZXYJUAOJTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O/c10-7-2-1-6(11)5-8(7)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14).
What are the key properties of N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide?
N-(2-bromo-5-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-(2-bromo-5-chlorophenyl)-2-cyanoacetamide is sourced from PubChem (CID 81270486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).