2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide

C15H22ClNO3 — CID 103771426

IUPAC2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NCC(O)CC(C)C)c1
InChIInChI=1S/C15H22ClNO3/c1-10(2)6-12(18)8-17-15(19)9-20-14-7-11(3)4-5-13(14)16/h4-5,7,10,12,18H,6,8-9H2,1-3H3,(H,17,19)
InChIKeyZFLWJXJBZVLWOO-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.55
Rot. Bonds7

About 2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide

2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide (PubChem CID 103771426) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
PubChem CID103771426
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NCC(O)CC(C)C)c1
InChIInChI=1S/C15H22ClNO3/c1-10(2)6-12(18)8-17-15(19)9-20-14-7-11(3)4-5-13(14)16/h4-5,7,10,12,18H,6,8-9H2,1-3H3,(H,17,19)
InChIKeyZFLWJXJBZVLWOO-UHFFFAOYSA-N
XLogP2.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771579
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031935
2-(2-chloro-5-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726337
5-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 82010449
N-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 103770722
2-(2,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391088
2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 18160697
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide
CID 103822650
N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
CID 60623539
N-(2-hydroxy-4-methylpentyl)-2-(2-methoxyphenoxy)acetamide
CID 103770844

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide (CID 103771426) is 2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide is Cc1ccc(Cl)c(OCC(=O)NCC(O)CC(C)C)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide?
The InChIKey is ZFLWJXJBZVLWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-10(2)6-12(18)8-17-15(19)9-20-14-7-11(3)4-5-13(14)16/h4-5,7,10,12,18H,6,8-9H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide?
2-(2-chloro-5-methylphenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide has a molecular weight of 299.80 g/mol, XLogP of 2.55, 7 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-(2-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 103771426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).