5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide

C14H17Cl2NO — CID 82891196

IUPAC5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NC1(CCl)CCCC1
InChIInChI=1S/C14H17Cl2NO/c1-10-4-5-11(16)8-12(10)13(18)17-14(9-15)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyYODICWVQVOFVSO-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.93
Rot. Bonds3

About 5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide

5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide (PubChem CID 82891196) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide
PubChem CID82891196
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NC1(CCl)CCCC1
InChIInChI=1S/C14H17Cl2NO/c1-10-4-5-11(16)8-12(10)13(18)17-14(9-15)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyYODICWVQVOFVSO-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.93
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-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82883175
N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82890509
5-chloro-N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methylbenzamide
CID 82890432
N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide
CID 113272385
4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
CID 113356724
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 82883323
N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide
CID 114311325
2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide
CID 114300743
3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide
CID 114303388
2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide
CID 106503132
N-[1-(chloromethyl)cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104672614
5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107423069

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide?
The IUPAC name of 5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide (CID 82891196) is 5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)NC1(CCl)CCCC1.
What is the InChIKey of 5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide?
The InChIKey is YODICWVQVOFVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-10-4-5-11(16)8-12(10)13(18)17-14(9-15)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18).
What are the key properties of 5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide?
5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide has a molecular weight of 286.20 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide is sourced from PubChem (CID 82891196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).