2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide

C13H18ClNO3 — CID 66937964

IUPAC2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide
SMILESCCC(O)CNC(=O)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C13H18ClNO3/c1-3-10(16)7-15-13(17)8-18-11-4-5-12(14)9(2)6-11/h4-6,10,16H,3,7-8H2,1-2H3,(H,15,17)
InChIKeyOVGCJOHJVFRZQC-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.91
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide (PubChem CID 66937964) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide
PubChem CID66937964
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide
SMILESCCC(O)CNC(=O)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C13H18ClNO3/c1-3-10(16)7-15-13(17)8-18-11-4-5-12(14)9(2)6-11/h4-6,10,16H,3,7-8H2,1-2H3,(H,15,17)
InChIKeyOVGCJOHJVFRZQC-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7794665
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 82009951
2-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide
CID 39835153
2-(4-chloro-3-methylphenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 42007347
2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide
CID 115577661
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 17404295
N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride
CID 119497344
N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxybutyl]-2-(4-chloro-3-methylphenoxy)-2-methylpropanamide
CID 138632359
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711
bis(2-(4-chloro-3-methylphenoxy)acetohydrazide);2,3-dihydroxybutanedioic acid
CID 19169518

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide (CID 66937964) is 2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide is CCC(O)CNC(=O)COc1ccc(Cl)c(C)c1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide?
The InChIKey is OVGCJOHJVFRZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-3-10(16)7-15-13(17)8-18-11-4-5-12(14)9(2)6-11/h4-6,10,16H,3,7-8H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide has a molecular weight of 271.74 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide is sourced from PubChem (CID 66937964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).