2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C15H10Cl2N2O2 — CID 4015420

IUPAC2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=C(C#N)C(=O)Nc2c(Cl)cccc2Cl)o1
InChIInChI=1S/C15H10Cl2N2O2/c1-9-5-6-11(21-9)7-10(8-18)15(20)19-14-12(16)3-2-4-13(14)17/h2-7H,1H3,(H,19,20)
InChIKeyKKBNNMFLHGBUKN-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.44
Rot. Bonds3

About 2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 4015420) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID4015420
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=C(C#N)C(=O)Nc2c(Cl)cccc2Cl)o1
InChIInChI=1S/C15H10Cl2N2O2/c1-9-5-6-11(21-9)7-10(8-18)15(20)19-14-12(16)3-2-4-13(14)17/h2-7H,1H3,(H,19,20)
InChIKeyKKBNNMFLHGBUKN-UHFFFAOYSA-N
XLogP4.44
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 738795
(E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 17373348
2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide
CID 5138163
(E)-3-(5-bromofuran-2-yl)-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide
CID 1355894
(Z)-2-cyano-3-(5-methylfuran-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 170916723
(E)-2-cyano-N-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 738798
2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide
CID 3770404
2-cyano-N-(2-methoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4107156
(Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 17373303
(E)-3-(4-acetamidophenyl)-2-cyano-N-(2,6-dichlorophenyl)prop-2-enamide
CID 7912146
methyl 5-[(Z)-3-(3-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-carboxylate
CID 60612317
(E)-3-(2-chloro-6-fluorophenyl)-2-cyano-N-(2,6-dichlorophenyl)prop-2-enamide
CID 40598251

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of 2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 4015420) is 2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for 2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for 2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(C=C(C#N)C(=O)Nc2c(Cl)cccc2Cl)o1.
What is the InChIKey of 2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is KKBNNMFLHGBUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c1-9-5-6-11(21-9)7-10(8-18)15(20)19-14-12(16)3-2-4-13(14)17/h2-7H,1H3,(H,19,20).
What are the key properties of 2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 321.16 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 4015420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).