2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide

C17H18ClNO3 — CID 99133008

IUPAC2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClNO3/c1-12(13-6-8-15(21-2)9-7-13)19-17(20)11-22-16-5-3-4-14(18)10-16/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyIMAPULHZVVJOII-GFCCVEGCSA-N
MW319.79 g/mol
LogP3.60
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide

2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 99133008) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
PubChem CID99133008
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)COc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClNO3/c1-12(13-6-8-15(21-2)9-7-13)19-17(20)11-22-16-5-3-4-14(18)10-16/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyIMAPULHZVVJOII-GFCCVEGCSA-N
XLogP3.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652877
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 8963319
N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 8963314
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 94843861
2-(3-methoxyphenoxy)-N-(1-phenylethyl)acetamide
CID 19204047
N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 78760781
2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28567361
2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28567363
N-[1-(4-chlorophenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 42989419
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 8751664
2-(3-methoxyphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112779282
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide (CID 99133008) is 2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide is COc1ccc([C@@H](C)NC(=O)COc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is IMAPULHZVVJOII-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-12(13-6-8-15(21-2)9-7-13)19-17(20)11-22-16-5-3-4-14(18)10-16/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of 2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide?
2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 319.79 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 99133008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).