2-chloro-N-methyl-N-(2-methylphenyl)-2-phenylacetamide

C16H16ClNO — CID 3328631

IUPAC2-chloro-N-methyl-N-(2-methylphenyl)-2-phenylacetamide
SMILESCc1ccccc1N(C)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-12-8-6-7-11-14(12)18(2)16(19)15(17)13-9-4-3-5-10-13/h3-11,15H,1-2H3
InChIKeyKETNFRHXQNZVNO-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.94
Rot. Bonds3

About 2-chloro-N-methyl-N-(2-methylphenyl)-2-phenylacetamide

2-chloro-N-methyl-N-(2-methylphenyl)-2-phenylacetamide (PubChem CID 3328631) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-methylphenyl)-2-phenylacetamide
PubChem CID3328631
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name2-chloro-N-methyl-N-(2-methylphenyl)-2-phenylacetamide
SMILESCc1ccccc1N(C)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-12-8-6-7-11-14(12)18(2)16(19)15(17)13-9-4-3-5-10-13/h3-11,15H,1-2H3
InChIKeyKETNFRHXQNZVNO-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.94
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-methyl-N-(2-methylphenyl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-methyl-N-(2-methylphenyl)-2-phenylacetamide (CID 3328631) is 2-chloro-N-methyl-N-(2-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-methylphenyl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2-methylphenyl)-2-phenylacetamide is Cc1ccccc1N(C)C(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-methyl-N-(2-methylphenyl)-2-phenylacetamide?
The InChIKey is KETNFRHXQNZVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-12-8-6-7-11-14(12)18(2)16(19)15(17)13-9-4-3-5-10-13/h3-11,15H,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(2-methylphenyl)-2-phenylacetamide?
2-chloro-N-methyl-N-(2-methylphenyl)-2-phenylacetamide has a molecular weight of 273.76 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 3328631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).