2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide

C13H15Cl2NO2 — CID 103751403

IUPAC2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1CCCC1CO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO2/c14-9-4-5-10(11(15)6-9)13(18)16-12-3-1-2-8(12)7-17/h4-6,8,12,17H,1-3,7H2,(H,16,18)
InChIKeyRYSWQJUEMDUBPD-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.88
Rot. Bonds3

About 2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide

2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 103751403) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID103751403
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1CCCC1CO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2NO2/c14-9-4-5-10(11(15)6-9)13(18)16-12-3-1-2-8(12)7-17/h4-6,8,12,17H,1-3,7H2,(H,16,18)
InChIKeyRYSWQJUEMDUBPD-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103773984
N-(2-aminocyclohexyl)-2,4-dichlorobenzamide
CID 54905526
4-chloro-2,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103873963
2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide
CID 114179839
2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-5-sulfanylbenzamide
CID 106367904
3-(2,4-dichlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103751500
1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 103709932
N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide
CID 106366538
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113339750
5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
CID 103774208
2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide
CID 106366480

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide (CID 103751403) is 2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide is O=C(NC1CCCC1CO)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is RYSWQJUEMDUBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c14-9-4-5-10(11(15)6-9)13(18)16-12-3-1-2-8(12)7-17/h4-6,8,12,17H,1-3,7H2,(H,16,18).
What are the key properties of 2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide?
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 288.17 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 103751403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).