2-chloro-N-(2,6-dimethylphenyl)-N-[1-(2-methylphenyl)ethenyl]acetamide

C19H20ClNO — CID 14326542

IUPAC2-chloro-N-(2,6-dimethylphenyl)-N-[1-(2-methylphenyl)ethenyl]acetamide
SMILESC=C(c1ccccc1C)N(C(=O)CCl)c1c(C)cccc1C
InChIInChI=1S/C19H20ClNO/c1-13-8-5-6-11-17(13)16(4)21(18(22)12-20)19-14(2)9-7-10-15(19)3/h5-11H,4,12H2,1-3H3
InChIKeyMBHKQPKPSWJVDU-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.85
Rot. Bonds4

About 2-chloro-N-(2,6-dimethylphenyl)-N-[1-(2-methylphenyl)ethenyl]acetamide

2-chloro-N-(2,6-dimethylphenyl)-N-[1-(2-methylphenyl)ethenyl]acetamide (PubChem CID 14326542) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethylphenyl)-N-[1-(2-methylphenyl)ethenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethylphenyl)-N-[1-(2-methylphenyl)ethenyl]acetamide
PubChem CID14326542
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name2-chloro-N-(2,6-dimethylphenyl)-N-[1-(2-methylphenyl)ethenyl]acetamide
SMILESC=C(c1ccccc1C)N(C(=O)CCl)c1c(C)cccc1C
InChIInChI=1S/C19H20ClNO/c1-13-8-5-6-11-17(13)16(4)21(18(22)12-20)19-14(2)9-7-10-15(19)3/h5-11H,4,12H2,1-3H3
InChIKeyMBHKQPKPSWJVDU-UHFFFAOYSA-N
XLogP4.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2,6-dimethylphenyl)-N-[1-(2-methylphenyl)ethenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)-N-[1-(2-methylphenyl)ethenyl]acetamide?
The IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)-N-[1-(2-methylphenyl)ethenyl]acetamide (CID 14326542) is 2-chloro-N-(2,6-dimethylphenyl)-N-[1-(2-methylphenyl)ethenyl]acetamide.
What is the SMILES notation for 2-chloro-N-(2,6-dimethylphenyl)-N-[1-(2-methylphenyl)ethenyl]acetamide?
The canonical SMILES for 2-chloro-N-(2,6-dimethylphenyl)-N-[1-(2-methylphenyl)ethenyl]acetamide is C=C(c1ccccc1C)N(C(=O)CCl)c1c(C)cccc1C.
What is the InChIKey of 2-chloro-N-(2,6-dimethylphenyl)-N-[1-(2-methylphenyl)ethenyl]acetamide?
The InChIKey is MBHKQPKPSWJVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-13-8-5-6-11-17(13)16(4)21(18(22)12-20)19-14(2)9-7-10-15(19)3/h5-11H,4,12H2,1-3H3.
What are the key properties of 2-chloro-N-(2,6-dimethylphenyl)-N-[1-(2-methylphenyl)ethenyl]acetamide?
2-chloro-N-(2,6-dimethylphenyl)-N-[1-(2-methylphenyl)ethenyl]acetamide has a molecular weight of 313.83 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dimethylphenyl)-N-[1-(2-methylphenyl)ethenyl]acetamide is sourced from PubChem (CID 14326542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).