5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide

C13H14Cl2FNO — CID 106366136

IUPAC5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
SMILESO=C(NC1CCCC1CCl)c1cc(Cl)ccc1F
InChIInChI=1S/C13H14Cl2FNO/c14-7-8-2-1-3-12(8)17-13(18)10-6-9(15)4-5-11(10)16/h4-6,8,12H,1-3,7H2,(H,17,18)
InChIKeyKREWSJVMSMNJLQ-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.62
Rot. Bonds3

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

5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide (PubChem CID 106366136) has the molecular formula C13H14Cl2FNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
PubChem CID106366136
Molecular FormulaC13H14Cl2FNO
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
SMILESO=C(NC1CCCC1CCl)c1cc(Cl)ccc1F
InChIInChI=1S/C13H14Cl2FNO/c14-7-8-2-1-3-12(8)17-13(18)10-6-9(15)4-5-11(10)16/h4-6,8,12H,1-3,7H2,(H,17,18)
InChIKeyKREWSJVMSMNJLQ-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.62
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)cyclopentyl]-2,5-difluorobenzamide
CID 106365784
4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide
CID 114179592
3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106366031
2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide
CID 106366480
N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide
CID 106366865
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide
CID 106366697
N-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide
CID 106366629
4-chloro-2,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103873963
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358647
N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide
CID 106366538

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide (CID 106366136) is 5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide is O=C(NC1CCCC1CCl)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide?
The InChIKey is KREWSJVMSMNJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2FNO/c14-7-8-2-1-3-12(8)17-13(18)10-6-9(15)4-5-11(10)16/h4-6,8,12H,1-3,7H2,(H,17,18).
What are the key properties of 5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide?
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide has a molecular weight of 290.16 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide is sourced from PubChem (CID 106366136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).