2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide

C17H17Cl2NO2 — CID 9092722

IUPAC2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)N[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C17H17Cl2NO2/c1-11(12-4-3-5-14(18)8-12)20-17(21)10-13-9-15(19)6-7-16(13)22-2/h3-9,11H,10H2,1-2H3,(H,20,21)/t11-/m0/s1
InChIKeyKMTRMUCZOMLVJT-NSHDSACASA-N
MW338.23 g/mol
LogP4.42
Rot. Bonds5

About 2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide

2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide (PubChem CID 9092722) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
PubChem CID9092722
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)N[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C17H17Cl2NO2/c1-11(12-4-3-5-14(18)8-12)20-17(21)10-13-9-15(19)6-7-16(13)22-2/h3-9,11H,10H2,1-2H3,(H,20,21)/t11-/m0/s1
InChIKeyKMTRMUCZOMLVJT-NSHDSACASA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 8866171
2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65312632
N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 43874167
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8535385
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8700805
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732
2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 51648180
2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 113351921
N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51163512
N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 42905870
2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329407
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide (CID 9092722) is 2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide is COc1ccc(Cl)cc1CC(=O)N[C@@H](C)c1cccc(Cl)c1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide?
The InChIKey is KMTRMUCZOMLVJT-NSHDSACASA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-11(12-4-3-5-14(18)8-12)20-17(21)10-13-9-15(19)6-7-16(13)22-2/h3-9,11H,10H2,1-2H3,(H,20,21)/t11-/m0/s1.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide?
2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide has a molecular weight of 338.23 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 9092722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).