(Z)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide

C24H17Cl3N2O3 — CID 2350381

IUPAC(Z)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCc1ccccc1Cl
InChIInChI=1S/C24H17Cl3N2O3/c1-31-22-7-6-15(9-23(22)32-14-16-4-2-3-5-21(16)27)8-17(13-28)24(30)29-20-11-18(25)10-19(26)12-20/h2-12H,14H2,1H3,(H,29,30)/b17-8-
InChIKeyFNUVLHAOTMQFHA-IUXPMGMMSA-N
MW487.77 g/mol
LogP6.78
Rot. Bonds7

About (Z)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide

(Z)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide (PubChem CID 2350381) has the molecular formula C24H17Cl3N2O3 and a molecular weight of 487.77 g/mol. Its IUPAC name is (Z)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide
PubChem CID2350381
Molecular FormulaC24H17Cl3N2O3
Molecular Weight487.77 g/mol
Exact Mass486.03
IUPAC Name(Z)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide
SMILESCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCc1ccccc1Cl
InChIInChI=1S/C24H17Cl3N2O3/c1-31-22-7-6-15(9-23(22)32-14-16-4-2-3-5-21(16)27)8-17(13-28)24(30)29-20-11-18(25)10-19(26)12-20/h2-12H,14H2,1H3,(H,29,30)/b17-8-
InChIKeyFNUVLHAOTMQFHA-IUXPMGMMSA-N
XLogP6.78
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.77
LogP ≤ 56.78
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

3-(3-chloro-4-methoxyphenyl)-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide
CID 5057045
3-[4-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 4197205
[5-[(Z)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] naphthalene-1-carboxylate
CID 2350251
(Z)-2-cyano-3-(3-ethoxy-4-methoxyphenyl)-N-phenylprop-2-enamide
CID 99915300
(E)-3-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-2-cyano-N-(2-methoxyethyl)prop-2-enamide
CID 44808213
N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide
CID 3611008
(E)-N-(4-chlorophenyl)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 1271535
(Z)-3-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 98098400
(E)-3-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 27129786
(E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 9353317
2-[4-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetate
CID 2208598
(E)-3-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-2-cyano-N-(2-nitrophenyl)prop-2-enamide
CID 6007822

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide?
The IUPAC name of (Z)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide (CID 2350381) is (Z)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide is COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCc1ccccc1Cl.
What is the InChIKey of (Z)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide?
The InChIKey is FNUVLHAOTMQFHA-IUXPMGMMSA-N. The full InChI is InChI=1S/C24H17Cl3N2O3/c1-31-22-7-6-15(9-23(22)32-14-16-4-2-3-5-21(16)27)8-17(13-28)24(30)29-20-11-18(25)10-19(26)12-20/h2-12H,14H2,1H3,(H,29,30)/b17-8-.
What are the key properties of (Z)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide?
(Z)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide has a molecular weight of 487.77 g/mol, XLogP of 6.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 2350381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).