2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-prop-2-enylacetamide

C15H18ClNO — CID 14326547

IUPAC2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CCl)C(=C(C)C)c1ccccc1
InChIInChI=1S/C15H18ClNO/c1-4-10-17(14(18)11-16)15(12(2)3)13-8-6-5-7-9-13/h4-9H,1,10-11H2,2-3H3
InChIKeyQZRPAHNVOWPJIW-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.69
Rot. Bonds5

About 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-prop-2-enylacetamide

2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-prop-2-enylacetamide (PubChem CID 14326547) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-prop-2-enylacetamide
PubChem CID14326547
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CCl)C(=C(C)C)c1ccccc1
InChIInChI=1S/C15H18ClNO/c1-4-10-17(14(18)11-16)15(12(2)3)13-8-6-5-7-9-13/h4-9H,1,10-11H2,2-3H3
InChIKeyQZRPAHNVOWPJIW-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-prop-2-enylacetamide?
The IUPAC name of 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-prop-2-enylacetamide (CID 14326547) is 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-prop-2-enylacetamide is C=CCN(C(=O)CCl)C(=C(C)C)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-prop-2-enylacetamide?
The InChIKey is QZRPAHNVOWPJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-4-10-17(14(18)11-16)15(12(2)3)13-8-6-5-7-9-13/h4-9H,1,10-11H2,2-3H3.
What are the key properties of 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-prop-2-enylacetamide?
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-prop-2-enylacetamide has a molecular weight of 263.77 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 14326547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).