2-[(2-chlorophenyl)diazenyl]-2-cyano-N-prop-2-enylacetamide

C12H11ClN4O — CID 54117233

IUPAC2-[(2-chlorophenyl)diazenyl]-2-cyano-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(C#N)/N=N/c1ccccc1Cl
InChIInChI=1S/C12H11ClN4O/c1-2-7-15-12(18)11(8-14)17-16-10-6-4-3-5-9(10)13/h2-6,11H,1,7H2,(H,15,18)/b17-16+
InChIKeyNLECUSCGLDIRRT-WUKNDPDISA-N
MW262.70 g/mol
LogP2.62
Rot. Bonds5

About 2-[(2-chlorophenyl)diazenyl]-2-cyano-N-prop-2-enylacetamide

2-[(2-chlorophenyl)diazenyl]-2-cyano-N-prop-2-enylacetamide (PubChem CID 54117233) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)diazenyl]-2-cyano-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)diazenyl]-2-cyano-N-prop-2-enylacetamide
PubChem CID54117233
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name2-[(2-chlorophenyl)diazenyl]-2-cyano-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(C#N)/N=N/c1ccccc1Cl
InChIInChI=1S/C12H11ClN4O/c1-2-7-15-12(18)11(8-14)17-16-10-6-4-3-5-9(10)13/h2-6,11H,1,7H2,(H,15,18)/b17-16+
InChIKeyNLECUSCGLDIRRT-WUKNDPDISA-N
XLogP2.62
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chloro-2-iodophenyl)diazenyl]-2-cyano-N-propylacetamide
CID 91538528
(2S)-3-(3-chloro-4-methylphenyl)-2-cyano-3-oxo-N-prop-2-enylpropanamide
CID 98142101
(2R)-3-(3-chloro-4-methylphenyl)-2-cyano-3-oxo-N-prop-2-enylpropanamide
CID 98142100
4-(2-chlorophenyl)-4-cyano-N-prop-2-enylbutanamide
CID 112517061
1-(2-chlorophenyl)-3-prop-2-enylurea
CID 4277664
(2S)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide
CID 97253742
(2R)-2-cyano-N-prop-2-enyl-2-pyridin-2-ylacetamide
CID 97253741
2-(3-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
CID 60791308
(2R)-2-cyano-3-oxo-N-prop-2-enyl-3-(4-prop-2-ynoxyphenyl)propanamide
CID 98347651
[3-(2-chlorophenyl)-2-[(2-chlorophenyl)diazenyl]propyl] acetate
CID 102256503
(2R)-2-cyano-3-oxo-N-prop-2-enyl-3-(3,4,5-trifluorophenyl)propanamide
CID 98361673
1-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-3-prop-2-enylthiourea
CID 27509995

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)diazenyl]-2-cyano-N-prop-2-enylacetamide?
The IUPAC name of 2-[(2-chlorophenyl)diazenyl]-2-cyano-N-prop-2-enylacetamide (CID 54117233) is 2-[(2-chlorophenyl)diazenyl]-2-cyano-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)diazenyl]-2-cyano-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(2-chlorophenyl)diazenyl]-2-cyano-N-prop-2-enylacetamide is C=CCNC(=O)C(C#N)/N=N/c1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)diazenyl]-2-cyano-N-prop-2-enylacetamide?
The InChIKey is NLECUSCGLDIRRT-WUKNDPDISA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-2-7-15-12(18)11(8-14)17-16-10-6-4-3-5-9(10)13/h2-6,11H,1,7H2,(H,15,18)/b17-16+.
What are the key properties of 2-[(2-chlorophenyl)diazenyl]-2-cyano-N-prop-2-enylacetamide?
2-[(2-chlorophenyl)diazenyl]-2-cyano-N-prop-2-enylacetamide has a molecular weight of 262.70 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)diazenyl]-2-cyano-N-prop-2-enylacetamide is sourced from PubChem (CID 54117233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).