2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide

C16H17ClN2O2 — CID 51648180

IUPAC2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C16H17ClN2O2/c1-11(14-5-3-4-8-18-14)19-16(20)10-12-9-13(17)6-7-15(12)21-2/h3-9,11H,10H2,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyGYSHJXRQJGJQMK-NSHDSACASA-N
MW304.78 g/mol
LogP3.16
Rot. Bonds5

About 2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide

2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide (PubChem CID 51648180) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
PubChem CID51648180
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C16H17ClN2O2/c1-11(14-5-3-4-8-18-14)19-16(20)10-12-9-13(17)6-7-15(12)21-2/h3-9,11H,10H2,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyGYSHJXRQJGJQMK-NSHDSACASA-N
XLogP3.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 8866171
1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182579
2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9092722
2-(2-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337037
2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 47097455
2-(2-hydroxyphenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 78990806
2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65312632
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448751
(2R)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-4-methylpentanoic acid
CID 78975845
N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 43874167

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide (CID 51648180) is 2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide is COc1ccc(Cl)cc1CC(=O)N[C@@H](C)c1ccccn1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The InChIKey is GYSHJXRQJGJQMK-NSHDSACASA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(14-5-3-4-8-18-14)19-16(20)10-12-9-13(17)6-7-15(12)21-2/h3-9,11H,10H2,1-2H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide has a molecular weight of 304.78 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide is sourced from PubChem (CID 51648180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).