(2E,4E)-N-[(Z)-3-(4-chlorophenyl)prop-2-enyl]-5-(2,4-dichlorophenyl)-4-methylpenta-2,4-dienamide

C21H18Cl3NO — CID 58952358

IUPAC(2E,4E)-N-[(Z)-3-(4-chlorophenyl)prop-2-enyl]-5-(2,4-dichlorophenyl)-4-methylpenta-2,4-dienamide
SMILESCC(/C=C/C(=O)NC/C=C\c1ccc(Cl)cc1)=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H18Cl3NO/c1-15(13-17-7-10-19(23)14-20(17)24)4-11-21(26)25-12-2-3-16-5-8-18(22)9-6-16/h2-11,13-14H,12H2,1H3,(H,25,26)/b3-2-,11-4+,15-13+
InChIKeyNZMNXWHCMRELPF-ILCVBQTQSA-N
MW406.74 g/mol
LogP6.44
Rot. Bonds6

About (2E,4E)-N-[(Z)-3-(4-chlorophenyl)prop-2-enyl]-5-(2,4-dichlorophenyl)-4-methylpenta-2,4-dienamide

(2E,4E)-N-[(Z)-3-(4-chlorophenyl)prop-2-enyl]-5-(2,4-dichlorophenyl)-4-methylpenta-2,4-dienamide (PubChem CID 58952358) has the molecular formula C21H18Cl3NO and a molecular weight of 406.74 g/mol. Its IUPAC name is (2E,4E)-N-[(Z)-3-(4-chlorophenyl)prop-2-enyl]-5-(2,4-dichlorophenyl)-4-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[(Z)-3-(4-chlorophenyl)prop-2-enyl]-5-(2,4-dichlorophenyl)-4-methylpenta-2,4-dienamide
PubChem CID58952358
Molecular FormulaC21H18Cl3NO
Molecular Weight406.74 g/mol
Exact Mass405.05
IUPAC Name(2E,4E)-N-[(Z)-3-(4-chlorophenyl)prop-2-enyl]-5-(2,4-dichlorophenyl)-4-methylpenta-2,4-dienamide
SMILESCC(/C=C/C(=O)NC/C=C\c1ccc(Cl)cc1)=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H18Cl3NO/c1-15(13-17-7-10-19(23)14-20(17)24)4-11-21(26)25-12-2-3-16-5-8-18(22)9-6-16/h2-11,13-14H,12H2,1H3,(H,25,26)/b3-2-,11-4+,15-13+
InChIKeyNZMNXWHCMRELPF-ILCVBQTQSA-N
XLogP6.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.74
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6166785
N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide
CID 169466504
(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6113892
tert-butyl N-[(2E,4E)-5-(2-chloro-4-methoxyphenyl)penta-2,4-dienoyl]-N-[(Z)-3-(4-chlorophenyl)prop-2-enyl]carbamate;(2E,4E)-5-(2-chloro-4-methoxyphenyl)-N-[(Z)-3-(4-chlorophenyl)prop-2-enyl]penta-2,4-dienamide
CID 160603921
2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]acetic acid
CID 3322960
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
(E)-3-(2,4-dichlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 6053257
(E)-N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 7927939
N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide
CID 169465018
(E)-N-(4-aminobutyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 82335727
N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
CID 1280125
(E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide
CID 9163694

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[(Z)-3-(4-chlorophenyl)prop-2-enyl]-5-(2,4-dichlorophenyl)-4-methylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[(Z)-3-(4-chlorophenyl)prop-2-enyl]-5-(2,4-dichlorophenyl)-4-methylpenta-2,4-dienamide (CID 58952358) is (2E,4E)-N-[(Z)-3-(4-chlorophenyl)prop-2-enyl]-5-(2,4-dichlorophenyl)-4-methylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[(Z)-3-(4-chlorophenyl)prop-2-enyl]-5-(2,4-dichlorophenyl)-4-methylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[(Z)-3-(4-chlorophenyl)prop-2-enyl]-5-(2,4-dichlorophenyl)-4-methylpenta-2,4-dienamide is CC(/C=C/C(=O)NC/C=C\c1ccc(Cl)cc1)=C\c1ccc(Cl)cc1Cl.
What is the InChIKey of (2E,4E)-N-[(Z)-3-(4-chlorophenyl)prop-2-enyl]-5-(2,4-dichlorophenyl)-4-methylpenta-2,4-dienamide?
The InChIKey is NZMNXWHCMRELPF-ILCVBQTQSA-N. The full InChI is InChI=1S/C21H18Cl3NO/c1-15(13-17-7-10-19(23)14-20(17)24)4-11-21(26)25-12-2-3-16-5-8-18(22)9-6-16/h2-11,13-14H,12H2,1H3,(H,25,26)/b3-2-,11-4+,15-13+.
What are the key properties of (2E,4E)-N-[(Z)-3-(4-chlorophenyl)prop-2-enyl]-5-(2,4-dichlorophenyl)-4-methylpenta-2,4-dienamide?
(2E,4E)-N-[(Z)-3-(4-chlorophenyl)prop-2-enyl]-5-(2,4-dichlorophenyl)-4-methylpenta-2,4-dienamide has a molecular weight of 406.74 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[(Z)-3-(4-chlorophenyl)prop-2-enyl]-5-(2,4-dichlorophenyl)-4-methylpenta-2,4-dienamide is sourced from PubChem (CID 58952358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).