N-(cyclopentylmethyl)-2,3-difluorobenzamide

C13H15F2NO — CID 62649354

IUPACN-(cyclopentylmethyl)-2,3-difluorobenzamide
SMILESO=C(NCC1CCCC1)c1cccc(F)c1F
InChIInChI=1S/C13H15F2NO/c14-11-7-3-6-10(12(11)15)13(17)16-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,16,17)
InChIKeyJURSPPSCAPYNGX-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.88
Rot. Bonds3

About N-(cyclopentylmethyl)-2,3-difluorobenzamide

N-(cyclopentylmethyl)-2,3-difluorobenzamide (PubChem CID 62649354) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2,3-difluorobenzamide
PubChem CID62649354
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC NameN-(cyclopentylmethyl)-2,3-difluorobenzamide
SMILESO=C(NCC1CCCC1)c1cccc(F)c1F
InChIInChI=1S/C13H15F2NO/c14-11-7-3-6-10(12(11)15)13(17)16-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,16,17)
InChIKeyJURSPPSCAPYNGX-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide
CID 106123375
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62660297
2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62660422
N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661338
2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
CID 115678359
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide
CID 81480761
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2,3-difluorobenzamide?
The IUPAC name of N-(cyclopentylmethyl)-2,3-difluorobenzamide (CID 62649354) is N-(cyclopentylmethyl)-2,3-difluorobenzamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2,3-difluorobenzamide?
The canonical SMILES for N-(cyclopentylmethyl)-2,3-difluorobenzamide is O=C(NCC1CCCC1)c1cccc(F)c1F.
What is the InChIKey of N-(cyclopentylmethyl)-2,3-difluorobenzamide?
The InChIKey is JURSPPSCAPYNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c14-11-7-3-6-10(12(11)15)13(17)16-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,16,17).
What are the key properties of N-(cyclopentylmethyl)-2,3-difluorobenzamide?
N-(cyclopentylmethyl)-2,3-difluorobenzamide has a molecular weight of 239.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2,3-difluorobenzamide is sourced from PubChem (CID 62649354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).