(Z)-2-cyano-N-(2-iodophenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide

C20H19IN2O2 — CID 2372108

IUPAC(Z)-2-cyano-N-(2-iodophenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide
SMILESCC(C)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1
InChIInChI=1S/C20H19IN2O2/c1-14(2)13-25-17-9-7-15(8-10-17)11-16(12-22)20(24)23-19-6-4-3-5-18(19)21/h3-11,14H,13H2,1-2H3,(H,23,24)/b16-11-
InChIKeyYPSUSHNMAYMHSV-WJDWOHSUSA-N
MW446.29 g/mol
LogP4.87
Rot. Bonds6

About (Z)-2-cyano-N-(2-iodophenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide

(Z)-2-cyano-N-(2-iodophenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide (PubChem CID 2372108) has the molecular formula C20H19IN2O2 and a molecular weight of 446.29 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-iodophenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-iodophenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide
PubChem CID2372108
Molecular FormulaC20H19IN2O2
Molecular Weight446.29 g/mol
Exact Mass446.05
IUPAC Name(Z)-2-cyano-N-(2-iodophenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide
SMILESCC(C)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1
InChIInChI=1S/C20H19IN2O2/c1-14(2)13-25-17-9-7-15(8-10-17)11-16(12-22)20(24)23-19-6-4-3-5-18(19)21/h3-11,14H,13H2,1-2H3,(H,23,24)/b16-11-
InChIKeyYPSUSHNMAYMHSV-WJDWOHSUSA-N
XLogP4.87
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.29
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-3-[4-[(4-fluorophenyl)methoxy]phenyl]-N-(2-iodophenyl)prop-2-enamide
CID 4673313
2-cyano-N-(3,5-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 773438
(E)-2-cyano-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-(2-iodophenyl)prop-2-enamide
CID 2371140
(Z)-2-cyano-3-[4-(3-methylbutoxy)phenyl]-N-(2-methylphenyl)prop-2-enamide
CID 78786079
(Z)-2-cyano-3-(4-ethoxy-3,5-diiodophenyl)-N-(2-iodophenyl)prop-2-enamide
CID 75409122
(E)-2-cyano-3-(4-ethoxyphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 19174952
2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 2790612
(Z)-2-cyano-N-(2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 98859448
(E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide
CID 7966917
(E)-N-(2-chlorophenyl)-2-cyano-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 99905060
(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 26476001
(Z)-2-cyano-3-(3-iodo-4,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
CID 75409094

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-iodophenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-iodophenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide (CID 2372108) is (Z)-2-cyano-N-(2-iodophenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-iodophenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-iodophenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide is CC(C)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1.
What is the InChIKey of (Z)-2-cyano-N-(2-iodophenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide?
The InChIKey is YPSUSHNMAYMHSV-WJDWOHSUSA-N. The full InChI is InChI=1S/C20H19IN2O2/c1-14(2)13-25-17-9-7-15(8-10-17)11-16(12-22)20(24)23-19-6-4-3-5-18(19)21/h3-11,14H,13H2,1-2H3,(H,23,24)/b16-11-.
What are the key properties of (Z)-2-cyano-N-(2-iodophenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide?
(Z)-2-cyano-N-(2-iodophenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide has a molecular weight of 446.29 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-iodophenyl)-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 2372108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).