2-(2-benzylphenoxy)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

C23H22ClNO4 — CID 7936748

IUPAC2-(2-benzylphenoxy)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)COc2ccccc2Cc2ccccc2)c(OC)cc1Cl
InChIInChI=1S/C23H22ClNO4/c1-27-21-14-19(22(28-2)13-18(21)24)25-23(26)15-29-20-11-7-6-10-17(20)12-16-8-4-3-5-9-16/h3-11,13-14H,12,15H2,1-2H3,(H,25,26)
InChIKeyUSQQDSXWBWPUEQ-UHFFFAOYSA-N
MW411.89 g/mol
LogP4.97
Rot. Bonds8

About 2-(2-benzylphenoxy)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

2-(2-benzylphenoxy)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (PubChem CID 7936748) has the molecular formula C23H22ClNO4 and a molecular weight of 411.89 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
PubChem CID7936748
Molecular FormulaC23H22ClNO4
Molecular Weight411.89 g/mol
Exact Mass411.12
IUPAC Name2-(2-benzylphenoxy)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)COc2ccccc2Cc2ccccc2)c(OC)cc1Cl
InChIInChI=1S/C23H22ClNO4/c1-27-21-14-19(22(28-2)13-18(21)24)25-23(26)15-29-20-11-7-6-10-17(20)12-16-8-4-3-5-9-16/h3-11,13-14H,12,15H2,1-2H3,(H,25,26)
InChIKeyUSQQDSXWBWPUEQ-UHFFFAOYSA-N
XLogP4.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-(2-benzylphenoxy)acetamide
CID 7925379
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978511
2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 41428663
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 8501524
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
2-(2-benzylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7900618
N-(2-benzylphenyl)-2-(2,3-dichlorophenoxy)acetamide
CID 7787717
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751407
2-(2-benzylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7899812
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 42003289
methyl 2-(2-benzylphenoxy)acetate
CID 43237517
N-(3-chloro-4-methoxyphenyl)-2-(2-ethylphenoxy)acetamide
CID 2709417

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (CID 7936748) is 2-(2-benzylphenoxy)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)COc2ccccc2Cc2ccccc2)c(OC)cc1Cl.
What is the InChIKey of 2-(2-benzylphenoxy)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The InChIKey is USQQDSXWBWPUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4/c1-27-21-14-19(22(28-2)13-18(21)24)25-23(26)15-29-20-11-7-6-10-17(20)12-16-8-4-3-5-9-16/h3-11,13-14H,12,15H2,1-2H3,(H,25,26).
What are the key properties of 2-(2-benzylphenoxy)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
2-(2-benzylphenoxy)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide has a molecular weight of 411.89 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 7936748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).