2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide

C13H15Cl2NO2 — CID 55081718

IUPAC2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1(CO)CCCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H15Cl2NO2/c14-10-5-3-4-9(11(10)15)12(18)16-13(8-17)6-1-2-7-13/h3-5,17H,1-2,6-8H2,(H,16,18)
InChIKeyYAKMTRDKCGZYGB-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.03
Rot. Bonds3

About 2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide

2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 55081718) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID55081718
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1(CO)CCCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H15Cl2NO2/c14-10-5-3-4-9(11(10)15)12(18)16-13(8-17)6-1-2-7-13/h3-5,17H,1-2,6-8H2,(H,16,18)
InChIKeyYAKMTRDKCGZYGB-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

Analyze 2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide (CID 55081718) is 2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide is O=C(NC1(CO)CCCC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is YAKMTRDKCGZYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c14-10-5-3-4-9(11(10)15)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 2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
2,3-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 2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 55081718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).