2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide

C13H15Cl2NO2 — CID 65113651

IUPAC2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2NO2/c14-9-4-3-5-10(15)11(9)12(17)16-8-13(18)6-1-2-7-13/h3-5,18H,1-2,6-8H2,(H,16,17)
InChIKeyIJYLIDSMVAWDMX-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.03
Rot. Bonds3

About 2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide

2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide (PubChem CID 65113651) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
PubChem CID65113651
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2NO2/c14-9-4-3-5-10(15)11(9)12(17)16-8-13(18)6-1-2-7-13/h3-5,18H,1-2,6-8H2,(H,16,17)
InChIKeyIJYLIDSMVAWDMX-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-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103849383
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 107097792
2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 115540784
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123464
N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide
CID 111435658
3-(2-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 111539535
2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 114300519
2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62519426
1-(3-chloro-2-methoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103686
4-amino-2-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 65103472

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide (CID 65113651) is 2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide is O=C(NCC1(O)CCCC1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide?
The InChIKey is IJYLIDSMVAWDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c14-9-4-3-5-10(15)11(9)12(17)16-8-13(18)6-1-2-7-13/h3-5,18H,1-2,6-8H2,(H,16,17).
What are the key properties of 2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide?
2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]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-hydroxycyclopentyl)methyl]benzamide is sourced from PubChem (CID 65113651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).