(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N,N-diethylprop-2-enamide

C18H16Cl2N2O2 — CID 1120860

IUPAC(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N,N-diethylprop-2-enamide
SMILESCCN(CC)C(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C18H16Cl2N2O2/c1-3-22(4-2)18(23)12(11-21)9-14-6-8-17(24-14)15-10-13(19)5-7-16(15)20/h5-10H,3-4H2,1-2H3/b12-9+
InChIKeyXEGPCZZJFKVXCC-FMIVXFBMSA-N
MW363.24 g/mol
LogP5.03
Rot. Bonds5

About (E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N,N-diethylprop-2-enamide

(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N,N-diethylprop-2-enamide (PubChem CID 1120860) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is (E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N,N-diethylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N,N-diethylprop-2-enamide
PubChem CID1120860
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N,N-diethylprop-2-enamide
SMILESCCN(CC)C(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C18H16Cl2N2O2/c1-3-22(4-2)18(23)12(11-21)9-14-6-8-17(24-14)15-10-13(19)5-7-16(15)20/h5-10H,3-4H2,1-2H3/b12-9+
InChIKeyXEGPCZZJFKVXCC-FMIVXFBMSA-N
XLogP5.03
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.24
LogP ≤ 55.03
H-Bond Donors ≤ 50
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

prop-2-enyl (E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoate
CID 6535761
(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N,N-diethylprop-2-enamide
CID 1050401
2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(4-fluoro-3-methylphenyl)prop-2-enamide
CID 171132338
(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(2,5-dimethylphenyl)prop-2-enamide
CID 18863426
(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-naphthalen-2-ylprop-2-enamide
CID 6197154
N'-[(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide
CID 6290779
(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 94851103
2-(4-chlorophenyl)-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile
CID 5168069
(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide
CID 18863483
(Z)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 45042904
(E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 1179037
2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]propanedioate
CID 7430807

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N,N-diethylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N,N-diethylprop-2-enamide (CID 1120860) is (E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N,N-diethylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N,N-diethylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N,N-diethylprop-2-enamide is CCN(CC)C(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of (E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N,N-diethylprop-2-enamide?
The InChIKey is XEGPCZZJFKVXCC-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-3-22(4-2)18(23)12(11-21)9-14-6-8-17(24-14)15-10-13(19)5-7-16(15)20/h5-10H,3-4H2,1-2H3/b12-9+.
What are the key properties of (E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N,N-diethylprop-2-enamide?
(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N,N-diethylprop-2-enamide has a molecular weight of 363.24 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N,N-diethylprop-2-enamide is sourced from PubChem (CID 1120860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).