N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide

C15H20ClNO — CID 114179397

IUPACN-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC2CCCC2CCl)c1C
InChIInChI=1S/C15H20ClNO/c1-10-5-3-7-13(11(10)2)15(18)17-14-8-4-6-12(14)9-16/h3,5,7,12,14H,4,6,8-9H2,1-2H3,(H,17,18)
InChIKeyHOJUESDIRMAESY-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.44
Rot. Bonds3

About N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide

N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide (PubChem CID 114179397) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide
PubChem CID114179397
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC2CCCC2CCl)c1C
InChIInChI=1S/C15H20ClNO/c1-10-5-3-7-13(11(10)2)15(18)17-14-8-4-6-12(14)9-16/h3,5,7,12,14H,4,6,8-9H2,1-2H3,(H,17,18)
InChIKeyHOJUESDIRMAESY-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.44
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]-2-hydroxy-3-methylbenzamide
CID 106366835
N-[2-(hydroxymethyl)cyclopentyl]-2-iodo-3-methylbenzamide
CID 113254999
4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide
CID 114179592
2,3-dimethyl-N-(2-methylpiperidin-3-yl)benzamide
CID 79042389
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide
CID 114179571
N-[2-(bromomethyl)cyclopentyl]-2-iodo-3-methylbenzamide
CID 114179537
N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide
CID 106366771
N-[2-(chloromethyl)cyclohexyl]-2-(trifluoromethyl)benzamide
CID 106366776
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
CID 119610198

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide (CID 114179397) is N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)NC2CCCC2CCl)c1C.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide?
The InChIKey is HOJUESDIRMAESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-10-5-3-7-13(11(10)2)15(18)17-14-8-4-6-12(14)9-16/h3,5,7,12,14H,4,6,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide?
N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide has a molecular weight of 265.78 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 114179397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).