(2Z,4Z)-2-(1-chloroethenyl)-N-methyl-N-(2-methylphenyl)hexa-2,4-dienamide

C16H18ClNO — CID 170032514

IUPAC(2Z,4Z)-2-(1-chloroethenyl)-N-methyl-N-(2-methylphenyl)hexa-2,4-dienamide
SMILESC=C(Cl)/C(=C\C=C/C)C(=O)N(C)c1ccccc1C
InChIInChI=1S/C16H18ClNO/c1-5-6-10-14(13(3)17)16(19)18(4)15-11-8-7-9-12(15)2/h5-11H,3H2,1-2,4H3/b6-5-,14-10+
InChIKeyVLPSQWHJOLHNGC-WULNTPNUSA-N
MW275.78 g/mol
LogP4.21
Rot. Bonds4

About (2Z,4Z)-2-(1-chloroethenyl)-N-methyl-N-(2-methylphenyl)hexa-2,4-dienamide

(2Z,4Z)-2-(1-chloroethenyl)-N-methyl-N-(2-methylphenyl)hexa-2,4-dienamide (PubChem CID 170032514) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is (2Z,4Z)-2-(1-chloroethenyl)-N-methyl-N-(2-methylphenyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4Z)-2-(1-chloroethenyl)-N-methyl-N-(2-methylphenyl)hexa-2,4-dienamide
PubChem CID170032514
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name(2Z,4Z)-2-(1-chloroethenyl)-N-methyl-N-(2-methylphenyl)hexa-2,4-dienamide
SMILESC=C(Cl)/C(=C\C=C/C)C(=O)N(C)c1ccccc1C
InChIInChI=1S/C16H18ClNO/c1-5-6-10-14(13(3)17)16(19)18(4)15-11-8-7-9-12(15)2/h5-11H,3H2,1-2,4H3/b6-5-,14-10+
InChIKeyVLPSQWHJOLHNGC-WULNTPNUSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.21
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-(1-chloroethenyl)-N-methyl-N-(2-methylphenyl)hexa-2,4-dienamide?
The IUPAC name of (2Z,4Z)-2-(1-chloroethenyl)-N-methyl-N-(2-methylphenyl)hexa-2,4-dienamide (CID 170032514) is (2Z,4Z)-2-(1-chloroethenyl)-N-methyl-N-(2-methylphenyl)hexa-2,4-dienamide.
What is the SMILES notation for (2Z,4Z)-2-(1-chloroethenyl)-N-methyl-N-(2-methylphenyl)hexa-2,4-dienamide?
The canonical SMILES for (2Z,4Z)-2-(1-chloroethenyl)-N-methyl-N-(2-methylphenyl)hexa-2,4-dienamide is C=C(Cl)/C(=C\C=C/C)C(=O)N(C)c1ccccc1C.
What is the InChIKey of (2Z,4Z)-2-(1-chloroethenyl)-N-methyl-N-(2-methylphenyl)hexa-2,4-dienamide?
The InChIKey is VLPSQWHJOLHNGC-WULNTPNUSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-5-6-10-14(13(3)17)16(19)18(4)15-11-8-7-9-12(15)2/h5-11H,3H2,1-2,4H3/b6-5-,14-10+.
What are the key properties of (2Z,4Z)-2-(1-chloroethenyl)-N-methyl-N-(2-methylphenyl)hexa-2,4-dienamide?
(2Z,4Z)-2-(1-chloroethenyl)-N-methyl-N-(2-methylphenyl)hexa-2,4-dienamide has a molecular weight of 275.78 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-(1-chloroethenyl)-N-methyl-N-(2-methylphenyl)hexa-2,4-dienamide is sourced from PubChem (CID 170032514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).