2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide

C13H15Cl2NO — CID 106126358

IUPAC2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
SMILESO=C(NCC1CCC(Cl)C1)c1ccccc1Cl
InChIInChI=1S/C13H15Cl2NO/c14-10-6-5-9(7-10)8-16-13(17)11-3-1-2-4-12(11)15/h1-4,9-10H,5-8H2,(H,16,17)
InChIKeyFNMBPHWFELLBCR-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.48
Rot. Bonds3

About 2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide

2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide (PubChem CID 106126358) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is 2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
PubChem CID106126358
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC Name2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
SMILESO=C(NCC1CCC(Cl)C1)c1ccccc1Cl
InChIInChI=1S/C13H15Cl2NO/c14-10-6-5-9(7-10)8-16-13(17)11-3-1-2-4-12(11)15/h1-4,9-10H,5-8H2,(H,16,17)
InChIKeyFNMBPHWFELLBCR-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide
CID 106126223
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100
N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide
CID 106127010
5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126328
4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 114146975
2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide
CID 114146880
N-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide
CID 114147037
N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 106133738
N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 106126364
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 106126996
3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide
CID 106132458

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide?
The IUPAC name of 2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide (CID 106126358) is 2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide is O=C(NCC1CCC(Cl)C1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide?
The InChIKey is FNMBPHWFELLBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c14-10-6-5-9(7-10)8-16-13(17)11-3-1-2-4-12(11)15/h1-4,9-10H,5-8H2,(H,16,17).
What are the key properties of 2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide?
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide has a molecular weight of 272.17 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide is sourced from PubChem (CID 106126358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).