2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide

C23H21ClFNO2 — CID 7936316

IUPAC2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C23H21ClFNO2/c1-26(15-19-20(24)11-7-12-21(19)25)23(27)16-28-22-13-6-5-10-18(22)14-17-8-3-2-4-9-17/h2-13H,14-16H2,1H3
InChIKeyOSDXZOYJEWGXQZ-UHFFFAOYSA-N
MW397.88 g/mol
LogP5.11
Rot. Bonds7

About 2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide

2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 7936316) has the molecular formula C23H21ClFNO2 and a molecular weight of 397.88 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
PubChem CID7936316
Molecular FormulaC23H21ClFNO2
Molecular Weight397.88 g/mol
Exact Mass397.12
IUPAC Name2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C23H21ClFNO2/c1-26(15-19-20(24)11-7-12-21(19)25)23(27)16-28-22-13-6-5-10-18(22)14-17-8-3-2-4-9-17/h2-13H,14-16H2,1H3
InChIKeyOSDXZOYJEWGXQZ-UHFFFAOYSA-N
XLogP5.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.88
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 112778718
2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 112774627
2-[[2-(2-benzylphenoxy)acetyl]-methylamino]acetamide
CID 56813072
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 2450064
2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 61115408
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide
CID 38551566
N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide
CID 112778951
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 55325082
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 112776875
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-benzylphenoxy)-N-methylacetamide
CID 9372728
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide (CID 7936316) is 2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1c(F)cccc1Cl)C(=O)COc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is OSDXZOYJEWGXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFNO2/c1-26(15-19-20(24)11-7-12-21(19)25)23(27)16-28-22-13-6-5-10-18(22)14-17-8-3-2-4-9-17/h2-13H,14-16H2,1H3.
What are the key properties of 2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 397.88 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 7936316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).