(Z)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide

C19H12Cl2N2O3 — CID 6369988

IUPAC(Z)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide
SMILESN#C/C(=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)NCc1ccco1
InChIInChI=1S/C19H12Cl2N2O3/c20-14-6-12(7-15(21)9-14)18-4-3-16(26-18)8-13(10-22)19(24)23-11-17-2-1-5-25-17/h1-9H,11H2,(H,23,24)/b13-8-
InChIKeyJRXNRVDVALCKJF-JYRVWZFOSA-N
MW387.22 g/mol
LogP5.07
Rot. Bonds5

About (Z)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide

(Z)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 6369988) has the molecular formula C19H12Cl2N2O3 and a molecular weight of 387.22 g/mol. Its IUPAC name is (Z)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID6369988
Molecular FormulaC19H12Cl2N2O3
Molecular Weight387.22 g/mol
Exact Mass386.02
IUPAC Name(Z)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide
SMILESN#C/C(=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)NCc1ccco1
InChIInChI=1S/C19H12Cl2N2O3/c20-14-6-12(7-15(21)9-14)18-4-3-16(26-18)8-13(10-22)19(24)23-11-17-2-1-5-25-17/h1-9H,11H2,(H,23,24)/b13-8-
InChIKeyJRXNRVDVALCKJF-JYRVWZFOSA-N
XLogP5.07
TPSA79.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.22
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide with MolForge

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Related Compounds

2-chloro-5-[5-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 1269164
ethyl 4-[5-[(Z)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
CID 6384498
(E)-2-cyano-N-(3,5-dichlorophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 18863619
2-cyano-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 789481
(Z)-N-(4-chlorophenyl)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 99892590
(E)-2-cyano-N-(furan-2-ylmethyl)-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enamide
CID 6531422
(E)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide
CID 18863293
(E)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide
CID 18863485
(Z)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-ethylprop-2-enamide
CID 34314256
(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 9353188
(E)-2-cyano-N-(furan-2-ylmethyl)-3-naphthalen-2-ylprop-2-enamide
CID 7480965
2-cyano-N-(furan-2-ylmethyl)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enamide
CID 3138086

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide (CID 6369988) is (Z)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide is N#C/C(=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)NCc1ccco1.
What is the InChIKey of (Z)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is JRXNRVDVALCKJF-JYRVWZFOSA-N. The full InChI is InChI=1S/C19H12Cl2N2O3/c20-14-6-12(7-15(21)9-14)18-4-3-16(26-18)8-13(10-22)19(24)23-11-17-2-1-5-25-17/h1-9H,11H2,(H,23,24)/b13-8-.
What are the key properties of (Z)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide?
(Z)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 387.22 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 6369988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).