2-[(2-bromophenyl)diazenyl]-2-cyano-N-ethylacetamide

C11H11BrN4O — CID 90980931

IUPAC2-[(2-bromophenyl)diazenyl]-2-cyano-N-ethylacetamide
SMILESCCNC(=O)C(C#N)/N=N/c1ccccc1Br
InChIInChI=1S/C11H11BrN4O/c1-2-14-11(17)10(7-13)16-15-9-6-4-3-5-8(9)12/h3-6,10H,2H2,1H3,(H,14,17)/b16-15+
InChIKeyOPISYLPYGYERAQ-FOCLMDBBSA-N
MW295.14 g/mol
LogP2.56
Rot. Bonds4

About 2-[(2-bromophenyl)diazenyl]-2-cyano-N-ethylacetamide

2-[(2-bromophenyl)diazenyl]-2-cyano-N-ethylacetamide (PubChem CID 90980931) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-[(2-bromophenyl)diazenyl]-2-cyano-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)diazenyl]-2-cyano-N-ethylacetamide
PubChem CID90980931
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name2-[(2-bromophenyl)diazenyl]-2-cyano-N-ethylacetamide
SMILESCCNC(=O)C(C#N)/N=N/c1ccccc1Br
InChIInChI=1S/C11H11BrN4O/c1-2-14-11(17)10(7-13)16-15-9-6-4-3-5-8(9)12/h3-6,10H,2H2,1H3,(H,14,17)/b16-15+
InChIKeyOPISYLPYGYERAQ-FOCLMDBBSA-N
XLogP2.56
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.56
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'}

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Related Compounds

2-[(3-chloro-2-iodophenyl)diazenyl]-2-cyano-N-propylacetamide
CID 91538528
2-[(2-chlorophenyl)diazenyl]-2-cyano-N-prop-2-enylacetamide
CID 54117233
2-cyano-N-ethyl-2-phenylacetamide
CID 62877347
(2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide
CID 95623381
ethyl (Z)-2-[(2-bromophenyl)diazenyl]-3-cyano-3-hydroxyprop-2-enoate
CID 138392027
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 9412570
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
3-(2-bromoanilino)-3-cyano-N-propylpropanamide
CID 66429531
2-cyano-N-ethylpropanamide
CID 23199183
N-ethyl-2-(2-hydroxyphenoxy)propanamide
CID 43143422
(2R,4S)-4-(2-bromophenoxy)-2-cyano-N-methyl-3-oxopentanamide
CID 98360417
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] (E)-3-(2-bromophenyl)prop-2-enoate
CID 8642283

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)diazenyl]-2-cyano-N-ethylacetamide?
The IUPAC name of 2-[(2-bromophenyl)diazenyl]-2-cyano-N-ethylacetamide (CID 90980931) is 2-[(2-bromophenyl)diazenyl]-2-cyano-N-ethylacetamide.
What is the SMILES notation for 2-[(2-bromophenyl)diazenyl]-2-cyano-N-ethylacetamide?
The canonical SMILES for 2-[(2-bromophenyl)diazenyl]-2-cyano-N-ethylacetamide is CCNC(=O)C(C#N)/N=N/c1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)diazenyl]-2-cyano-N-ethylacetamide?
The InChIKey is OPISYLPYGYERAQ-FOCLMDBBSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-2-14-11(17)10(7-13)16-15-9-6-4-3-5-8(9)12/h3-6,10H,2H2,1H3,(H,14,17)/b16-15+.
What are the key properties of 2-[(2-bromophenyl)diazenyl]-2-cyano-N-ethylacetamide?
2-[(2-bromophenyl)diazenyl]-2-cyano-N-ethylacetamide has a molecular weight of 295.14 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)diazenyl]-2-cyano-N-ethylacetamide is sourced from PubChem (CID 90980931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).