N-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide

C16H17F2NO2 — CID 57445704

IUPACN-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide
SMILESC#CCOc1c(F)cc(C(=O)NCC2CCCC2)cc1F
InChIInChI=1S/C16H17F2NO2/c1-2-7-21-15-13(17)8-12(9-14(15)18)16(20)19-10-11-5-3-4-6-11/h1,8-9,11H,3-7,10H2,(H,19,20)
InChIKeyCXXZZFXNFPPYSE-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.90
Rot. Bonds5

About N-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide

N-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide (PubChem CID 57445704) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide
PubChem CID57445704
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC NameN-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide
SMILESC#CCOc1c(F)cc(C(=O)NCC2CCCC2)cc1F
InChIInChI=1S/C16H17F2NO2/c1-2-7-21-15-13(17)8-12(9-14(15)18)16(20)19-10-11-5-3-4-6-11/h1,8-9,11H,3-7,10H2,(H,19,20)
InChIKeyCXXZZFXNFPPYSE-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-3-fluoro-5-nitro-4-prop-2-ynoxybenzamide
CID 59243696
N-(cyclopentylmethyl)-3-fluoro-4-prop-2-ynoxybenzamide
CID 57445710
N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 57445697
N-(cyclohexylmethyl)-2,3,5-trifluoro-4-prop-2-ynoxybenzamide
CID 59226988
N-(cyclohexylmethyl)-3,5-dimethoxy-4-prop-2-ynoxybenzamide
CID 57445670
3,5-difluoro-N-[(1R,2S)-2-methylcyclohexyl]-4-prop-2-ynoxybenzamide
CID 87640430
N-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 59290522
N-[(1-cyanocyclohexyl)methyl]-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 87366928
3,5-difluoro-N-[1-(hydroxymethyl)cyclohexyl]-4-prop-2-ynoxybenzamide
CID 87365069
3,5-diamino-N-(cyclopentylmethyl)benzamide
CID 61095768
N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide
CID 57445692
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide?
The IUPAC name of N-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide (CID 57445704) is N-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide.
What is the SMILES notation for N-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide?
The canonical SMILES for N-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide is C#CCOc1c(F)cc(C(=O)NCC2CCCC2)cc1F.
What is the InChIKey of N-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide?
The InChIKey is CXXZZFXNFPPYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-2-7-21-15-13(17)8-12(9-14(15)18)16(20)19-10-11-5-3-4-6-11/h1,8-9,11H,3-7,10H2,(H,19,20).
What are the key properties of N-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide?
N-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide has a molecular weight of 293.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide is sourced from PubChem (CID 57445704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).