(Z)-2-cyano-N-cyclopropyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-enamide

C18H13Cl3N2O3 — CID 51064391

IUPAC(Z)-2-cyano-N-cyclopropyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-enamide
SMILESN#C/C(=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)C(=O)NC1CC1
InChIInChI=1S/C18H13Cl3N2O3/c19-11-6-15(20)17(16(21)7-11)25-9-14-4-3-13(26-14)5-10(8-22)18(24)23-12-1-2-12/h3-7,12H,1-2,9H2,(H,23,24)/b10-5-
InChIKeyPEXLZJABJQEFKM-YHYXMXQVSA-N
MW411.67 g/mol
LogP5.00
Rot. Bonds6

About (Z)-2-cyano-N-cyclopropyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-enamide

(Z)-2-cyano-N-cyclopropyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-enamide (PubChem CID 51064391) has the molecular formula C18H13Cl3N2O3 and a molecular weight of 411.67 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclopropyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclopropyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-enamide
PubChem CID51064391
Molecular FormulaC18H13Cl3N2O3
Molecular Weight411.67 g/mol
Exact Mass410.00
IUPAC Name(Z)-2-cyano-N-cyclopropyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-enamide
SMILESN#C/C(=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)C(=O)NC1CC1
InChIInChI=1S/C18H13Cl3N2O3/c19-11-6-15(20)17(16(21)7-11)25-9-14-4-3-13(26-14)5-10(8-22)18(24)23-12-1-2-12/h3-7,12H,1-2,9H2,(H,23,24)/b10-5-
InChIKeyPEXLZJABJQEFKM-YHYXMXQVSA-N
XLogP5.00
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.67
LogP ≤ 55.00
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-N-cyclopropyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-enamide with MolForge

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Related Compounds

(E)-2-cyano-N-(3-cyanothiophen-2-yl)-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-enamide
CID 17280922
N-cyclopentyl-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415446
(Z)-2-cyano-N-cyclopentyl-3-[3,5-dichloro-4-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide
CID 126197947
(E)-3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyano-N-cyclohexylprop-2-enamide
CID 6269775
(E)-3-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-2-cyano-N-cyclohexylprop-2-enamide
CID 126005706
2-chloro-4-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 7333379
(Z)-3-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]-2-cyano-N-cyclopentylprop-2-enamide
CID 126200403
(E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide
CID 1272261
(E)-1-cyclopropyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19558842
(E)-2-cyano-N-cyclopentyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 126197604
(Z)-3-[3-bromo-5-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-2-cyano-N-cyclopentylprop-2-enamide
CID 126197264
(Z)-3-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-2-cyano-N-cyclopentylprop-2-enamide
CID 126197714

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclopropyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclopropyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-enamide (CID 51064391) is (Z)-2-cyano-N-cyclopropyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclopropyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclopropyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-enamide is N#C/C(=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)C(=O)NC1CC1.
What is the InChIKey of (Z)-2-cyano-N-cyclopropyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-enamide?
The InChIKey is PEXLZJABJQEFKM-YHYXMXQVSA-N. The full InChI is InChI=1S/C18H13Cl3N2O3/c19-11-6-15(20)17(16(21)7-11)25-9-14-4-3-13(26-14)5-10(8-22)18(24)23-12-1-2-12/h3-7,12H,1-2,9H2,(H,23,24)/b10-5-.
What are the key properties of (Z)-2-cyano-N-cyclopropyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-enamide?
(Z)-2-cyano-N-cyclopropyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-enamide has a molecular weight of 411.67 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclopropyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-enamide is sourced from PubChem (CID 51064391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).