2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide

C15H22ClNO3 — CID 103725683

IUPAC2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
SMILESCCCC(CCO)CNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO3/c1-2-4-12(7-8-18)10-17-15(19)11-20-14-6-3-5-13(16)9-14/h3,5-6,9,12,18H,2,4,7-8,10-11H2,1H3,(H,17,19)
InChIKeyNYBCBMPQMIUQDX-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.63
Rot. Bonds9

About 2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide

2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide (PubChem CID 103725683) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
PubChem CID103725683
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
SMILESCCCC(CCO)CNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO3/c1-2-4-12(7-8-18)10-17-15(19)11-20-14-6-3-5-13(16)9-14/h3,5-6,9,12,18H,2,4,7-8,10-11H2,1H3,(H,17,19)
InChIKeyNYBCBMPQMIUQDX-UHFFFAOYSA-N
XLogP2.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide
CID 114306028
2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115701670
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide
CID 106288395
N-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide
CID 107157608
2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725510
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
methyl 2-bromo-3-[[2-(3-chlorophenoxy)acetyl]amino]propanoate
CID 103492346
2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide
CID 62652936
1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473927
(2S)-2-[[2-(3-chlorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822042

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide (CID 103725683) is 2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide is CCCC(CCO)CNC(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The InChIKey is NYBCBMPQMIUQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-2-4-12(7-8-18)10-17-15(19)11-20-14-6-3-5-13(16)9-14/h3,5-6,9,12,18H,2,4,7-8,10-11H2,1H3,(H,17,19).
What are the key properties of 2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide?
2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide has a molecular weight of 299.80 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide is sourced from PubChem (CID 103725683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).