2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide

C15H19Cl2NO2 — CID 62522014

IUPAC2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)NC1(CO)CCCCC1
InChIInChI=1S/C15H19Cl2NO2/c16-12-5-4-6-13(17)11(12)9-14(20)18-15(10-19)7-2-1-3-8-15/h4-6,19H,1-3,7-10H2,(H,18,20)
InChIKeyIXDGGRXWBNNSAT-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.35
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide

2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide (PubChem CID 62522014) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
PubChem CID62522014
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)NC1(CO)CCCCC1
InChIInChI=1S/C15H19Cl2NO2/c16-12-5-4-6-13(17)11(12)9-14(20)18-15(10-19)7-2-1-3-8-15/h4-6,19H,1-3,7-10H2,(H,18,20)
InChIKeyIXDGGRXWBNNSAT-UHFFFAOYSA-N
XLogP3.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide (CID 62522014) is 2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide is O=C(Cc1c(Cl)cccc1Cl)NC1(CO)CCCCC1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
The InChIKey is IXDGGRXWBNNSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c16-12-5-4-6-13(17)11(12)9-14(20)18-15(10-19)7-2-1-3-8-15/h4-6,19H,1-3,7-10H2,(H,18,20).
What are the key properties of 2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide?
2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide has a molecular weight of 316.23 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide is sourced from PubChem (CID 62522014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).