N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide

C16H17F2NO2 — CID 57445697

IUPACN-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide
SMILESC#CCOc1c(F)cc(C(=O)NC2CCCCC2)cc1F
InChIInChI=1S/C16H17F2NO2/c1-2-8-21-15-13(17)9-11(10-14(15)18)16(20)19-12-6-4-3-5-7-12/h1,9-10,12H,3-8H2,(H,19,20)
InChIKeyDIARYTNIPCYJMJ-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.04
Rot. Bonds4

About N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide

N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide (PubChem CID 57445697) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide.

Molecular Properties

Compound NameN-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide
PubChem CID57445697
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC NameN-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide
SMILESC#CCOc1c(F)cc(C(=O)NC2CCCCC2)cc1F
InChIInChI=1S/C16H17F2NO2/c1-2-8-21-15-13(17)9-11(10-14(15)18)16(20)19-12-6-4-3-5-7-12/h1,9-10,12H,3-8H2,(H,19,20)
InChIKeyDIARYTNIPCYJMJ-UHFFFAOYSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.04
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

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-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 57445704
N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide
CID 57445692
[2-[(3,5-difluoro-4-prop-2-ynoxybenzoyl)amino]cyclohexyl] acetate
CID 59290537
3,5-difluoro-N-[1-(hydroxymethyl)cyclohexyl]-4-prop-2-ynoxybenzamide
CID 87365069
4-bromo-N-cyclohexyl-3,5-difluorobenzamide
CID 172646662
N-(cyclohexylmethyl)-3-fluoro-5-nitro-4-prop-2-ynoxybenzamide
CID 59243696
N-[(1-cyanocyclohexyl)methyl]-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 87366928
N-cyclopropyl-2-ethyl-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 87698213
N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187586
4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid
CID 79884320

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide?
The IUPAC name of N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide (CID 57445697) is N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide.
What is the SMILES notation for N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide?
The canonical SMILES for N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide is C#CCOc1c(F)cc(C(=O)NC2CCCCC2)cc1F.
What is the InChIKey of N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide?
The InChIKey is DIARYTNIPCYJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-2-8-21-15-13(17)9-11(10-14(15)18)16(20)19-12-6-4-3-5-7-12/h1,9-10,12H,3-8H2,(H,19,20).
What are the key properties of N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide?
N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide has a molecular weight of 293.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide is sourced from PubChem (CID 57445697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).