2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide

C13H15Cl2NO2 — CID 62519426

IUPAC2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1(CO)CCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2NO2/c14-9-4-3-5-10(15)11(9)12(18)16-13(8-17)6-1-2-7-13/h3-5,17H,1-2,6-8H2,(H,16,18)
InChIKeyJDRXLOKOFSXFIJ-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.03
Rot. Bonds3

About 2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide

2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 62519426) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID62519426
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1(CO)CCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2NO2/c14-9-4-3-5-10(15)11(9)12(18)16-13(8-17)6-1-2-7-13/h3-5,17H,1-2,6-8H2,(H,16,18)
InChIKeyJDRXLOKOFSXFIJ-UHFFFAOYSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 114300519
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide
CID 63658968
2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081718
2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522014
4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 82833008
3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081511
2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113651
2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764608
4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55082146
N-(1-carbamothioylcyclohexyl)-2,6-dichlorobenzamide
CID 61118938
2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide (CID 62519426) is 2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide is O=C(NC1(CO)CCCC1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is JDRXLOKOFSXFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c14-9-4-3-5-10(15)11(9)12(18)16-13(8-17)6-1-2-7-13/h3-5,17H,1-2,6-8H2,(H,16,18).
What are the key properties of 2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 288.17 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 62519426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).