N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide

C14H17ClFNO2 — CID 102885202

IUPACN-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCCC2Cl)c(F)c1
InChIInChI=1S/C14H17ClFNO2/c1-19-10-5-6-11(13(16)7-10)14(18)17-8-9-3-2-4-12(9)15/h5-7,9,12H,2-4,8H2,1H3,(H,17,18)
InChIKeyWKJSEINCBYRLOS-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.97
Rot. Bonds4

About N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide

N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide (PubChem CID 102885202) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
PubChem CID102885202
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC NameN-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCCC2Cl)c(F)c1
InChIInChI=1S/C14H17ClFNO2/c1-19-10-5-6-11(13(16)7-10)14(18)17-8-9-3-2-4-12(9)15/h5-7,9,12H,2-4,8H2,1H3,(H,17,18)
InChIKeyWKJSEINCBYRLOS-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorocyclohexyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114301418
N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106123955
2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 113228962
2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 102882405
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide
CID 114306706
2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 102882104
N-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 113272633
2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 113222377
N-[(3-bromocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106128879
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115413436
N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114313727

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide (CID 102885202) is N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NCC2CCCC2Cl)c(F)c1.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide?
The InChIKey is WKJSEINCBYRLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-19-10-5-6-11(13(16)7-10)14(18)17-8-9-3-2-4-12(9)15/h5-7,9,12H,2-4,8H2,1H3,(H,17,18).
What are the key properties of N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide?
N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide has a molecular weight of 285.75 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 102885202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).