2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide

C13H18ClNO3 — CID 113351921

IUPAC2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
SMILESCC[C@H](CO)NC(=O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C13H18ClNO3/c1-3-11(8-16)15-13(17)7-9-6-10(14)4-5-12(9)18-2/h4-6,11,16H,3,7-8H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyBJAAOLLMNXEBKL-LLVKDONJSA-N
MW271.74 g/mol
LogP1.78
Rot. Bonds6

About 2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide

2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide (PubChem CID 113351921) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
PubChem CID113351921
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
SMILESCC[C@H](CO)NC(=O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C13H18ClNO3/c1-3-11(8-16)15-13(17)7-9-6-10(14)4-5-12(9)18-2/h4-6,11,16H,3,7-8H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyBJAAOLLMNXEBKL-LLVKDONJSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65312632
2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid
CID 43388208
5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide
CID 43390352
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid
CID 107563797
2-(5-chloro-2-methoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103801277
2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9092722
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]hexanoic acid
CID 107144268
(2R)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-4-methylpentanoic acid
CID 78975845
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 61143813
2-(5-chloro-2-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 8866171
2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide
CID 60700587
2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide
CID 110767257

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide (CID 113351921) is 2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide is CC[C@H](CO)NC(=O)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide?
The InChIKey is BJAAOLLMNXEBKL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-3-11(8-16)15-13(17)7-9-6-10(14)4-5-12(9)18-2/h4-6,11,16H,3,7-8H2,1-2H3,(H,15,17)/t11-/m1/s1.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide?
2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide has a molecular weight of 271.74 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide is sourced from PubChem (CID 113351921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).