2-chloro-N-(4-chlorophenyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide

C18H17Cl2NO — CID 15136820

IUPAC2-chloro-N-(4-chlorophenyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
SMILESCC(C)=C(c1ccccc1)N(C(=O)CCl)c1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl2NO/c1-13(2)18(14-6-4-3-5-7-14)21(17(22)12-19)16-10-8-15(20)9-11-16/h3-11H,12H2,1-2H3
InChIKeyJUFWTXDXSRFSBP-UHFFFAOYSA-N
MW334.25 g/mol
LogP5.36
Rot. Bonds4

About 2-chloro-N-(4-chlorophenyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide

2-chloro-N-(4-chlorophenyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide (PubChem CID 15136820) has the molecular formula C18H17Cl2NO and a molecular weight of 334.25 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
PubChem CID15136820
Molecular FormulaC18H17Cl2NO
Molecular Weight334.25 g/mol
Exact Mass333.07
IUPAC Name2-chloro-N-(4-chlorophenyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
SMILESCC(C)=C(c1ccccc1)N(C(=O)CCl)c1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl2NO/c1-13(2)18(14-6-4-3-5-7-14)21(17(22)12-19)16-10-8-15(20)9-11-16/h3-11H,12H2,1-2H3
InChIKeyJUFWTXDXSRFSBP-UHFFFAOYSA-N
XLogP5.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.25
LogP ≤ 55.36
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-(4-chlorophenyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide (CID 15136820) is 2-chloro-N-(4-chlorophenyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide is CC(C)=C(c1ccccc1)N(C(=O)CCl)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide?
The InChIKey is JUFWTXDXSRFSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO/c1-13(2)18(14-6-4-3-5-7-14)21(17(22)12-19)16-10-8-15(20)9-11-16/h3-11H,12H2,1-2H3.
What are the key properties of 2-chloro-N-(4-chlorophenyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide?
2-chloro-N-(4-chlorophenyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide has a molecular weight of 334.25 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorophenyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide is sourced from PubChem (CID 15136820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).