(2E)-4-chloro-N,N-dimethyl-2-(2-methylphenyl)penta-2,4-dienamide

C14H16ClNO — CID 89179677

IUPAC(2E)-4-chloro-N,N-dimethyl-2-(2-methylphenyl)penta-2,4-dienamide
SMILESC=C(Cl)/C=C(/C(=O)N(C)C)c1ccccc1C
InChIInChI=1S/C14H16ClNO/c1-10-7-5-6-8-12(10)13(9-11(2)15)14(17)16(3)4/h5-9H,2H2,1,3-4H3/b13-9+
InChIKeyARARTNRRNUYQPN-UKTHLTGXSA-N
MW249.74 g/mol
LogP3.22
Rot. Bonds3

About (2E)-4-chloro-N,N-dimethyl-2-(2-methylphenyl)penta-2,4-dienamide

(2E)-4-chloro-N,N-dimethyl-2-(2-methylphenyl)penta-2,4-dienamide (PubChem CID 89179677) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is (2E)-4-chloro-N,N-dimethyl-2-(2-methylphenyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-4-chloro-N,N-dimethyl-2-(2-methylphenyl)penta-2,4-dienamide
PubChem CID89179677
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name(2E)-4-chloro-N,N-dimethyl-2-(2-methylphenyl)penta-2,4-dienamide
SMILESC=C(Cl)/C=C(/C(=O)N(C)C)c1ccccc1C
InChIInChI=1S/C14H16ClNO/c1-10-7-5-6-8-12(10)13(9-11(2)15)14(17)16(3)4/h5-9H,2H2,1,3-4H3/b13-9+
InChIKeyARARTNRRNUYQPN-UKTHLTGXSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.22
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'}

Analyze (2E)-4-chloro-N,N-dimethyl-2-(2-methylphenyl)penta-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2E)-4-chloro-2-(2-methylphenyl)penta-2,4-dienoate
CID 89174791
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
N-chloro-N,2-dimethylbenzamide
CID 166437996
(Z)-4-(2-methylphenyl)pent-3-en-2-one
CID 67605542
1-(2-methylphenyl)ethenesulfinate
CID 175121815
(E)-3-(2-methylphenyl)-2-oxopent-3-enoic acid
CID 143135216
N,2-dimethyl-N-phenylbenzamide
CID 5222383
2-methylidene-1-(2-methylphenyl)but-3-en-1-one
CID 163236678
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326
tris(2-methylbenzoyl)sulfanium
CID 142714960
1-[(3Z,5E)-5-ethenyl-2-methylocta-1,3,5,7-tetraen-4-yl]-2-methylbenzene
CID 143924136
1-(2-methylphenyl)ethenylphosphonic acid
CID 3021132

Frequently Asked Questions

What is the IUPAC name of (2E)-4-chloro-N,N-dimethyl-2-(2-methylphenyl)penta-2,4-dienamide?
The IUPAC name of (2E)-4-chloro-N,N-dimethyl-2-(2-methylphenyl)penta-2,4-dienamide (CID 89179677) is (2E)-4-chloro-N,N-dimethyl-2-(2-methylphenyl)penta-2,4-dienamide.
What is the SMILES notation for (2E)-4-chloro-N,N-dimethyl-2-(2-methylphenyl)penta-2,4-dienamide?
The canonical SMILES for (2E)-4-chloro-N,N-dimethyl-2-(2-methylphenyl)penta-2,4-dienamide is C=C(Cl)/C=C(/C(=O)N(C)C)c1ccccc1C.
What is the InChIKey of (2E)-4-chloro-N,N-dimethyl-2-(2-methylphenyl)penta-2,4-dienamide?
The InChIKey is ARARTNRRNUYQPN-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-10-7-5-6-8-12(10)13(9-11(2)15)14(17)16(3)4/h5-9H,2H2,1,3-4H3/b13-9+.
What are the key properties of (2E)-4-chloro-N,N-dimethyl-2-(2-methylphenyl)penta-2,4-dienamide?
(2E)-4-chloro-N,N-dimethyl-2-(2-methylphenyl)penta-2,4-dienamide has a molecular weight of 249.74 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-chloro-N,N-dimethyl-2-(2-methylphenyl)penta-2,4-dienamide is sourced from PubChem (CID 89179677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).