N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide

C17H18ClNO3 — CID 110789762

IUPACN-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
SMILESCOc1ccc(CCNC(=O)COc2ccccc2)c(Cl)c1
InChIInChI=1S/C17H18ClNO3/c1-21-15-8-7-13(16(18)11-15)9-10-19-17(20)12-22-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyUFZBDDORSINCRT-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.09
Rot. Bonds7

About N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide

N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide (PubChem CID 110789762) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
PubChem CID110789762
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
SMILESCOc1ccc(CCNC(=O)COc2ccccc2)c(Cl)c1
InChIInChI=1S/C17H18ClNO3/c1-21-15-8-7-13(16(18)11-15)9-10-19-17(20)12-22-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyUFZBDDORSINCRT-UHFFFAOYSA-N
XLogP3.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 112977363
2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide
CID 96676269
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide
CID 115153007
2-(4-chlorophenoxy)-N-[2-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 110601482
methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate
CID 7705071
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
1-amino-3-[2-(2-chloro-4-methoxyphenyl)ethyl]urea
CID 115192925
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 110783322
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide
CID 110601484

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide (CID 110789762) is N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide is COc1ccc(CCNC(=O)COc2ccccc2)c(Cl)c1.
What is the InChIKey of N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide?
The InChIKey is UFZBDDORSINCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-21-15-8-7-13(16(18)11-15)9-10-19-17(20)12-22-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,19,20).
What are the key properties of N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide?
N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide has a molecular weight of 319.79 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 110789762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).