2-chloro-N-ethyl-N-(2-methyl-1-phenylprop-1-enyl)acetamide

C14H18ClNO — CID 14326545

IUPAC2-chloro-N-ethyl-N-(2-methyl-1-phenylprop-1-enyl)acetamide
SMILESCCN(C(=O)CCl)C(=C(C)C)c1ccccc1
InChIInChI=1S/C14H18ClNO/c1-4-16(13(17)10-15)14(11(2)3)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3
InChIKeyKDXVIUWGJQEGCN-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.52
Rot. Bonds4

About 2-chloro-N-ethyl-N-(2-methyl-1-phenylprop-1-enyl)acetamide

2-chloro-N-ethyl-N-(2-methyl-1-phenylprop-1-enyl)acetamide (PubChem CID 14326545) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(2-methyl-1-phenylprop-1-enyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(2-methyl-1-phenylprop-1-enyl)acetamide
PubChem CID14326545
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name2-chloro-N-ethyl-N-(2-methyl-1-phenylprop-1-enyl)acetamide
SMILESCCN(C(=O)CCl)C(=C(C)C)c1ccccc1
InChIInChI=1S/C14H18ClNO/c1-4-16(13(17)10-15)14(11(2)3)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3
InChIKeyKDXVIUWGJQEGCN-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(2-methyl-1-phenylprop-1-enyl)acetamide?
The IUPAC name of 2-chloro-N-ethyl-N-(2-methyl-1-phenylprop-1-enyl)acetamide (CID 14326545) is 2-chloro-N-ethyl-N-(2-methyl-1-phenylprop-1-enyl)acetamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(2-methyl-1-phenylprop-1-enyl)acetamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(2-methyl-1-phenylprop-1-enyl)acetamide is CCN(C(=O)CCl)C(=C(C)C)c1ccccc1.
What is the InChIKey of 2-chloro-N-ethyl-N-(2-methyl-1-phenylprop-1-enyl)acetamide?
The InChIKey is KDXVIUWGJQEGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-4-16(13(17)10-15)14(11(2)3)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3.
What are the key properties of 2-chloro-N-ethyl-N-(2-methyl-1-phenylprop-1-enyl)acetamide?
2-chloro-N-ethyl-N-(2-methyl-1-phenylprop-1-enyl)acetamide has a molecular weight of 251.76 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(2-methyl-1-phenylprop-1-enyl)acetamide is sourced from PubChem (CID 14326545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).