2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide

C15H19Cl2NO3 — CID 62522356

IUPAC2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC1(CO)CCCCC1
InChIInChI=1S/C15H19Cl2NO3/c16-11-4-5-13(12(17)8-11)21-9-14(20)18-15(10-19)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10H2,(H,18,20)
InChIKeyPKBRBXGAVGGXKF-UHFFFAOYSA-N
MW332.23 g/mol
LogP3.18
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide

2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide (PubChem CID 62522356) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
PubChem CID62522356
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC1(CO)CCCCC1
InChIInChI=1S/C15H19Cl2NO3/c16-11-4-5-13(12(17)8-11)21-9-14(20)18-15(10-19)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10H2,(H,18,20)
InChIKeyPKBRBXGAVGGXKF-UHFFFAOYSA-N
XLogP3.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62520939
2-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522174
2-(2,4-difluorophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519487
N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119567423
2-(2,4-dichlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751365
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide
CID 119564877
2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 595733
potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377
2-(2,4-dichlorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 42145569
2-(2,4-dichlorophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 7516874
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668024

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide (CID 62522356) is 2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide is O=C(COc1ccc(Cl)cc1Cl)NC1(CO)CCCCC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
The InChIKey is PKBRBXGAVGGXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c16-11-4-5-13(12(17)8-11)21-9-14(20)18-15(10-19)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10H2,(H,18,20).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide has a molecular weight of 332.23 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide is sourced from PubChem (CID 62522356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).