2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide

C13H18ClNO3 — CID 65031935

IUPAC2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NCC(C)CO)c1
InChIInChI=1S/C13H18ClNO3/c1-9-3-4-11(14)12(5-9)18-8-13(17)15-6-10(2)7-16/h3-5,10,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyFQSYAAMVCQSZNH-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.77
Rot. Bonds6

About 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide

2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide (PubChem CID 65031935) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide
PubChem CID65031935
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NCC(C)CO)c1
InChIInChI=1S/C13H18ClNO3/c1-9-3-4-11(14)12(5-9)18-8-13(17)15-6-10(2)7-16/h3-5,10,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyFQSYAAMVCQSZNH-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
5-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 82010449
2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771426
2-(2-chloro-5-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726337
2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66109028
2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 18160697
2-(2-chloro-5-methylphenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103801265
N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
CID 60623539
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
2-(2-chloro-5-methylphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2677051
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46786994
methyl 2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-3-methylbutanoate
CID 17393717

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide (CID 65031935) is 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide is Cc1ccc(Cl)c(OCC(=O)NCC(C)CO)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide?
The InChIKey is FQSYAAMVCQSZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-9-3-4-11(14)12(5-9)18-8-13(17)15-6-10(2)7-16/h3-5,10,16H,6-8H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide?
2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide has a molecular weight of 271.74 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 65031935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).