2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide

C13H14Cl2FNO — CID 114147100

IUPAC2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
SMILESO=C(NCC1CCC(Cl)C1)c1c(F)cccc1Cl
InChIInChI=1S/C13H14Cl2FNO/c14-9-5-4-8(6-9)7-17-13(18)12-10(15)2-1-3-11(12)16/h1-3,8-9H,4-7H2,(H,17,18)
InChIKeyVQQULHVQTAMHSO-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.62
Rot. Bonds3

About 2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide

2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide (PubChem CID 114147100) has the molecular formula C13H14Cl2FNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
PubChem CID114147100
Molecular FormulaC13H14Cl2FNO
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
SMILESO=C(NCC1CCC(Cl)C1)c1c(F)cccc1Cl
InChIInChI=1S/C13H14Cl2FNO/c14-9-5-4-8(6-9)7-17-13(18)12-10(15)2-1-3-11(12)16/h1-3,8-9H,4-7H2,(H,17,18)
InChIKeyVQQULHVQTAMHSO-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

2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
N-[(3-chlorocyclopentyl)methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 106126488
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 114146975
N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 106126996
N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chloro-6-fluorobenzamide
CID 114317426
N-[(3-chlorocyclopentyl)methyl]-2,6-difluoro-3-nitrobenzamide
CID 106127655
2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide
CID 2799401
2-chloro-6-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 86263563
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide (CID 114147100) is 2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide is O=C(NCC1CCC(Cl)C1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide?
The InChIKey is VQQULHVQTAMHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2FNO/c14-9-5-4-8(6-9)7-17-13(18)12-10(15)2-1-3-11(12)16/h1-3,8-9H,4-7H2,(H,17,18).
What are the key properties of 2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide?
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-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 2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide is sourced from PubChem (CID 114147100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).