3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide

C13H14Cl3NO — CID 106366031

IUPAC3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide
SMILESO=C(NC1CCCC1CCl)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H14Cl3NO/c14-7-8-2-1-3-12(8)17-13(18)9-4-10(15)6-11(16)5-9/h4-6,8,12H,1-3,7H2,(H,17,18)
InChIKeyJUYSSTPGAKTHCE-UHFFFAOYSA-N
MW306.62 g/mol
LogP4.13
Rot. Bonds3

About 3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide

3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide (PubChem CID 106366031) has the molecular formula C13H14Cl3NO and a molecular weight of 306.62 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide
PubChem CID106366031
Molecular FormulaC13H14Cl3NO
Molecular Weight306.62 g/mol
Exact Mass305.01
IUPAC Name3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide
SMILESO=C(NC1CCCC1CCl)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H14Cl3NO/c14-7-8-2-1-3-12(8)17-13(18)9-4-10(15)6-11(16)5-9/h4-6,8,12H,1-3,7H2,(H,17,18)
InChIKeyJUYSSTPGAKTHCE-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.62
LogP ≤ 54.13
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-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide
CID 114179554
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106366901
3,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 62961800
N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179364
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide
CID 106366042
N-[2-(chloromethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 114179381
N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide
CID 106365784
N-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 106365913
N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
CID 106366034

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide (CID 106366031) is 3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide is O=C(NC1CCCC1CCl)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide?
The InChIKey is JUYSSTPGAKTHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl3NO/c14-7-8-2-1-3-12(8)17-13(18)9-4-10(15)6-11(16)5-9/h4-6,8,12H,1-3,7H2,(H,17,18).
What are the key properties of 3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide?
3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide has a molecular weight of 306.62 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide is sourced from PubChem (CID 106366031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).