N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide

C15H19Cl2NO — CID 113273831

IUPACN-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC1CCCC1CCl
InChIInChI=1S/C15H19Cl2NO/c16-9-12-2-1-3-13(12)10-18-15(19)8-11-4-6-14(17)7-5-11/h4-7,12-13H,1-3,8-10H2,(H,18,19)
InChIKeyWRYYABUPISVCKP-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.65
Rot. Bonds5

About N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide

N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide (PubChem CID 113273831) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide
PubChem CID113273831
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC NameN-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC1CCCC1CCl
InChIInChI=1S/C15H19Cl2NO/c16-9-12-2-1-3-13(12)10-18-15(19)8-11-4-6-14(17)7-5-11/h4-7,12-13H,1-3,8-10H2,(H,18,19)
InChIKeyWRYYABUPISVCKP-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.65
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

2-(2-chloro-6-fluorophenyl)-N-[[2-(chloromethyl)cyclohexyl]methyl]acetamide
CID 114307086
4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide
CID 114307019
N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide
CID 114306626
4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114306984
5-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 114306808
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(2,5-dimethylphenyl)acetamide
CID 114307113
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,6-difluoro-3-methylbenzamide
CID 82818931
N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107421052
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113056717
N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide
CID 114313710
2,5-dichloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-3-carboxamide
CID 107966085
2-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111426322

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide (CID 113273831) is N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)NCC1CCCC1CCl.
What is the InChIKey of N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is WRYYABUPISVCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c16-9-12-2-1-3-13(12)10-18-15(19)8-11-4-6-14(17)7-5-11/h4-7,12-13H,1-3,8-10H2,(H,18,19).
What are the key properties of N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide?
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 300.23 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 113273831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).