3-(2-bromo-6-chlorophenyl)-2-cyanoprop-2-enamide

C10H6BrClN2O — CID 136573910

IUPAC3-(2-bromo-6-chlorophenyl)-2-cyanoprop-2-enamide
SMILESN#CC(=Cc1c(Cl)cccc1Br)C(N)=O
InChIInChI=1S/C10H6BrClN2O/c11-8-2-1-3-9(12)7(8)4-6(5-13)10(14)15/h1-4H,(H2,14,15)
InChIKeyCZGZKJFKGFNCOX-UHFFFAOYSA-N
MW285.53 g/mol
LogP2.49
Rot. Bonds2

About 3-(2-bromo-6-chlorophenyl)-2-cyanoprop-2-enamide

3-(2-bromo-6-chlorophenyl)-2-cyanoprop-2-enamide (PubChem CID 136573910) has the molecular formula C10H6BrClN2O and a molecular weight of 285.53 g/mol. Its IUPAC name is 3-(2-bromo-6-chlorophenyl)-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name3-(2-bromo-6-chlorophenyl)-2-cyanoprop-2-enamide
PubChem CID136573910
Molecular FormulaC10H6BrClN2O
Molecular Weight285.53 g/mol
Exact Mass283.94
IUPAC Name3-(2-bromo-6-chlorophenyl)-2-cyanoprop-2-enamide
SMILESN#CC(=Cc1c(Cl)cccc1Br)C(N)=O
InChIInChI=1S/C10H6BrClN2O/c11-8-2-1-3-9(12)7(8)4-6(5-13)10(14)15/h1-4H,(H2,14,15)
InChIKeyCZGZKJFKGFNCOX-UHFFFAOYSA-N
XLogP2.49
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.53
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloro-2-fluorophenyl)-2-cyanoprop-2-enamide
CID 57063759
2-benzoyl-3-(2,6-dichlorophenyl)prop-2-enenitrile
CID 5044481
3-(2-bromo-5-chlorophenyl)-2-cyanoprop-2-enamide
CID 71991679
methyl (Z)-3-(2-chloro-6-fluorophenyl)-2-cyanoprop-2-enoate
CID 2688348
2-cyano-3-(3-methylphenyl)prop-2-enamide
CID 3601300
(E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(2,6-dichlorophenyl)prop-2-enamide
CID 40598251
(E)-2-cyano-3-(2,6-dichlorophenyl)-N-(2,5-dimethylphenyl)prop-2-enamide
CID 698844
ethyl 3-[2-bromo-6-(trifluoromethyl)phenyl]-2-cyanoprop-2-enoate
CID 175097936
(E)-3-[4-chloro-2-(dimethylamino)quinolin-3-yl]-2-cyanoprop-2-enamide
CID 15687077
(E)-3-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
CID 877047
(E)-2-cyano-3-[3-(3,4-dichlorophenoxy)phenyl]prop-2-enamide
CID 155552183
2-cyano-3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 3394809

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-chlorophenyl)-2-cyanoprop-2-enamide?
The IUPAC name of 3-(2-bromo-6-chlorophenyl)-2-cyanoprop-2-enamide (CID 136573910) is 3-(2-bromo-6-chlorophenyl)-2-cyanoprop-2-enamide.
What is the SMILES notation for 3-(2-bromo-6-chlorophenyl)-2-cyanoprop-2-enamide?
The canonical SMILES for 3-(2-bromo-6-chlorophenyl)-2-cyanoprop-2-enamide is N#CC(=Cc1c(Cl)cccc1Br)C(N)=O.
What is the InChIKey of 3-(2-bromo-6-chlorophenyl)-2-cyanoprop-2-enamide?
The InChIKey is CZGZKJFKGFNCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2O/c11-8-2-1-3-9(12)7(8)4-6(5-13)10(14)15/h1-4H,(H2,14,15).
What are the key properties of 3-(2-bromo-6-chlorophenyl)-2-cyanoprop-2-enamide?
3-(2-bromo-6-chlorophenyl)-2-cyanoprop-2-enamide has a molecular weight of 285.53 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-6-chlorophenyl)-2-cyanoprop-2-enamide is sourced from PubChem (CID 136573910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).