(Z)-2-cyano-N-cyclohexyl-3-(4,5-dibromofuran-2-yl)prop-2-enamide

C14H14Br2N2O2 — CID 92962211

IUPAC(Z)-2-cyano-N-cyclohexyl-3-(4,5-dibromofuran-2-yl)prop-2-enamide
SMILESN#C/C(=C/c1cc(Br)c(Br)o1)C(=O)NC1CCCCC1
InChIInChI=1S/C14H14Br2N2O2/c15-12-7-11(20-13(12)16)6-9(8-17)14(19)18-10-4-2-1-3-5-10/h6-7,10H,1-5H2,(H,18,19)/b9-6-
InChIKeyVPJVFVGVLYHZQT-TWGQIWQCSA-N
MW402.09 g/mol
LogP4.16
Rot. Bonds3

About (Z)-2-cyano-N-cyclohexyl-3-(4,5-dibromofuran-2-yl)prop-2-enamide

(Z)-2-cyano-N-cyclohexyl-3-(4,5-dibromofuran-2-yl)prop-2-enamide (PubChem CID 92962211) has the molecular formula C14H14Br2N2O2 and a molecular weight of 402.09 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclohexyl-3-(4,5-dibromofuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclohexyl-3-(4,5-dibromofuran-2-yl)prop-2-enamide
PubChem CID92962211
Molecular FormulaC14H14Br2N2O2
Molecular Weight402.09 g/mol
Exact Mass399.94
IUPAC Name(Z)-2-cyano-N-cyclohexyl-3-(4,5-dibromofuran-2-yl)prop-2-enamide
SMILESN#C/C(=C/c1cc(Br)c(Br)o1)C(=O)NC1CCCCC1
InChIInChI=1S/C14H14Br2N2O2/c15-12-7-11(20-13(12)16)6-9(8-17)14(19)18-10-4-2-1-3-5-10/h6-7,10H,1-5H2,(H,18,19)/b9-6-
InChIKeyVPJVFVGVLYHZQT-TWGQIWQCSA-N
XLogP4.16
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.09
LogP ≤ 54.16
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

(E)-2-cyano-N-cyclohexyl-3-(5-iodofuran-2-yl)prop-2-enamide
CID 1272261
(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-cyclohexylprop-2-enamide
CID 1124180
(E)-3-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-2-cyano-N-cyclohexylprop-2-enamide
CID 126005706
(E)-3-[5-(2-bromo-4-methylphenyl)furan-2-yl]-2-cyano-N-cyclohexylprop-2-enamide
CID 1491702
(E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide
CID 840729
(E)-2-cyano-N-cyclohexyl-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 9247292
(E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-cycloheptylprop-2-enamide
CID 19631650
(Z)-3-(5-bromothiophen-2-yl)-2-cyano-N-cyclohexylprop-2-enamide
CID 2688615
(E)-3-(4-bromo-2-fluorophenyl)-2-cyano-N-cyclohexylprop-2-enamide
CID 7967077
(Z)-2-cyano-N-cyclopentyl-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 124925368
3-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-cyclohexylprop-2-enamide
CID 76871334
(E)-3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyano-N-cyclohexylprop-2-enamide
CID 6269775

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-(4,5-dibromofuran-2-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-(4,5-dibromofuran-2-yl)prop-2-enamide (CID 92962211) is (Z)-2-cyano-N-cyclohexyl-3-(4,5-dibromofuran-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclohexyl-3-(4,5-dibromofuran-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclohexyl-3-(4,5-dibromofuran-2-yl)prop-2-enamide is N#C/C(=C/c1cc(Br)c(Br)o1)C(=O)NC1CCCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclohexyl-3-(4,5-dibromofuran-2-yl)prop-2-enamide?
The InChIKey is VPJVFVGVLYHZQT-TWGQIWQCSA-N. The full InChI is InChI=1S/C14H14Br2N2O2/c15-12-7-11(20-13(12)16)6-9(8-17)14(19)18-10-4-2-1-3-5-10/h6-7,10H,1-5H2,(H,18,19)/b9-6-.
What are the key properties of (Z)-2-cyano-N-cyclohexyl-3-(4,5-dibromofuran-2-yl)prop-2-enamide?
(Z)-2-cyano-N-cyclohexyl-3-(4,5-dibromofuran-2-yl)prop-2-enamide has a molecular weight of 402.09 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclohexyl-3-(4,5-dibromofuran-2-yl)prop-2-enamide is sourced from PubChem (CID 92962211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).