2-cyano-N-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)prop-2-enamide

C16H8Cl2F2N2O — CID 72688956

IUPAC2-cyano-N-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)prop-2-enamide
SMILESN#CC(=Cc1cccc(F)c1F)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H8Cl2F2N2O/c17-11-4-2-5-12(18)15(11)22-16(23)10(8-21)7-9-3-1-6-13(19)14(9)20/h1-7H,(H,22,23)
InChIKeyCTWYYJATEBVPOO-UHFFFAOYSA-N
MW353.16 g/mol
LogP4.82
Rot. Bonds3

About 2-cyano-N-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)prop-2-enamide

2-cyano-N-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)prop-2-enamide (PubChem CID 72688956) has the molecular formula C16H8Cl2F2N2O and a molecular weight of 353.16 g/mol. Its IUPAC name is 2-cyano-N-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)prop-2-enamide
PubChem CID72688956
Molecular FormulaC16H8Cl2F2N2O
Molecular Weight353.16 g/mol
Exact Mass352.00
IUPAC Name2-cyano-N-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)prop-2-enamide
SMILESN#CC(=Cc1cccc(F)c1F)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H8Cl2F2N2O/c17-11-4-2-5-12(18)15(11)22-16(23)10(8-21)7-9-3-1-6-13(19)14(9)20/h1-7H,(H,22,23)
InChIKeyCTWYYJATEBVPOO-UHFFFAOYSA-N
XLogP4.82
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 54.82
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

(E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(2,6-dichlorophenyl)prop-2-enamide
CID 40598251
(E)-2-cyano-3-(2,3-difluorophenyl)-N-propan-2-ylprop-2-enamide
CID 75370058
2-cyano-3-(2,3-difluorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 72688933
3-(3-chloro-2-fluorophenyl)-2-cyanoprop-2-enamide
CID 57063759
(E)-2-cyano-3-(2,3-difluorophenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 78906091
4-[(E)-2-cyano-3-(2,6-dichloroanilino)-3-oxoprop-1-enyl]benzoic acid
CID 7912157
(E)-3-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
CID 877047
(E)-3-(4-acetamidophenyl)-2-cyano-N-(2,6-dichlorophenyl)prop-2-enamide
CID 7912146
(E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(2,6-dichlorophenyl)prop-2-enamide
CID 2713839
(E)-2-cyano-N-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 124624512
2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4015420
(E)-3-(2-chlorophenyl)-2-cyano-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 7967386

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)prop-2-enamide?
The IUPAC name of 2-cyano-N-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)prop-2-enamide (CID 72688956) is 2-cyano-N-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-N-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)prop-2-enamide?
The canonical SMILES for 2-cyano-N-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)prop-2-enamide is N#CC(=Cc1cccc(F)c1F)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-cyano-N-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)prop-2-enamide?
The InChIKey is CTWYYJATEBVPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2F2N2O/c17-11-4-2-5-12(18)15(11)22-16(23)10(8-21)7-9-3-1-6-13(19)14(9)20/h1-7H,(H,22,23).
What are the key properties of 2-cyano-N-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)prop-2-enamide?
2-cyano-N-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)prop-2-enamide has a molecular weight of 353.16 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)prop-2-enamide is sourced from PubChem (CID 72688956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).