2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide

C16H16ClNO — CID 166403235

IUPAC2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(=O)CCl
InChIInChI=1S/C16H16ClNO/c1-18(16(19)11-17)12-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyQJSKPHWSLCREDF-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.55
Rot. Bonds4

About 2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide

2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide (PubChem CID 166403235) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide
PubChem CID166403235
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(=O)CCl
InChIInChI=1S/C16H16ClNO/c1-18(16(19)11-17)12-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyQJSKPHWSLCREDF-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 2450177
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
4-[[(2-chloroacetyl)-methylamino]methyl]benzamide
CID 60812217
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea
CID 134799082
tert-butyl N-[3-[methyl-[(4-phenylphenyl)methyl]amino]-3-oxopropyl]carbamate
CID 46588215
2-chloro-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 60809822
2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 60948624
2-chloro-N-[(3-ethylphenyl)methyl]-N-methylacetamide
CID 162420357
N-benzyl-2-chloro-N-methylsulfonylacetamide
CID 83381162
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide
CID 33360987

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide (CID 166403235) is 2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide is CN(Cc1ccc(-c2ccccc2)cc1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide?
The InChIKey is QJSKPHWSLCREDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-18(16(19)11-17)12-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide?
2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide has a molecular weight of 273.76 g/mol, XLogP of 3.55, 4 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-[(4-phenylphenyl)methyl]acetamide is sourced from PubChem (CID 166403235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).