(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide

C24H16Cl4N2O3 — CID 124534516

IUPAC(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
SMILESCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H16Cl4N2O3/c1-32-22-11-14(6-8-21(22)33-13-15-5-7-17(25)19(27)10-15)9-16(12-29)24(31)30-20-4-2-3-18(26)23(20)28/h2-11H,13H2,1H3,(H,30,31)/b16-9-
InChIKeyQPCRGBYNURCMJM-SXGWCWSVSA-N
MW522.22 g/mol
LogP7.43
Rot. Bonds7

About (Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide

(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide (PubChem CID 124534516) has the molecular formula C24H16Cl4N2O3 and a molecular weight of 522.22 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
PubChem CID124534516
Molecular FormulaC24H16Cl4N2O3
Molecular Weight522.22 g/mol
Exact Mass519.99
IUPAC Name(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
SMILESCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H16Cl4N2O3/c1-32-22-11-14(6-8-21(22)33-13-15-5-7-17(25)19(27)10-15)9-16(12-29)24(31)30-20-4-2-3-18(26)23(20)28/h2-11H,13H2,1H3,(H,30,31)/b16-9-
InChIKeyQPCRGBYNURCMJM-SXGWCWSVSA-N
XLogP7.43
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.22
LogP ≤ 57.43
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'}

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Related Compounds

(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]prop-2-enamide
CID 124602577
2-cyano-N-(2,3-dichlorophenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4504067
(E)-2-cyano-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)prop-2-enamide
CID 6079925
(Z)-3-[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 124534688
(Z)-3-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 124534716
2-cyano-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-(3-methylsulfonyl-1,2,4-thiadiazol-5-yl)prop-2-enamide
CID 171332122
(Z)-3-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 124534650
(E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 7768843
(E)-2-cyano-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 2063050
(Z)-2-cyano-3-(3-methoxy-4-phenylmethoxyphenyl)-N-quinolin-5-ylprop-2-enamide
CID 2404333
4-[[5-bromo-4-[(Z)-2-cyano-3-(2,3-dichloroanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid
CID 124534656
2-(2-chlorophenyl)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enenitrile
CID 3466103

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide (CID 124534516) is (Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide is COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide?
The InChIKey is QPCRGBYNURCMJM-SXGWCWSVSA-N. The full InChI is InChI=1S/C24H16Cl4N2O3/c1-32-22-11-14(6-8-21(22)33-13-15-5-7-17(25)19(27)10-15)9-16(12-29)24(31)30-20-4-2-3-18(26)23(20)28/h2-11H,13H2,1H3,(H,30,31)/b16-9-.
What are the key properties of (Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide?
(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide has a molecular weight of 522.22 g/mol, XLogP of 7.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 124534516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).