N-(1-cyanocyclohexyl)-3-[4-(difluoromethoxy)phenyl]propanamide

C17H20F2N2O2 — CID 86922934

IUPACN-(1-cyanocyclohexyl)-3-[4-(difluoromethoxy)phenyl]propanamide
SMILESN#CC1(NC(=O)CCc2ccc(OC(F)F)cc2)CCCCC1
InChIInChI=1S/C17H20F2N2O2/c18-16(19)23-14-7-4-13(5-8-14)6-9-15(22)21-17(12-20)10-2-1-3-11-17/h4-5,7-8,16H,1-3,6,9-11H2,(H,21,22)
InChIKeyFIOUUCMEJOXTKO-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.56
Rot. Bonds6

About N-(1-cyanocyclohexyl)-3-[4-(difluoromethoxy)phenyl]propanamide

N-(1-cyanocyclohexyl)-3-[4-(difluoromethoxy)phenyl]propanamide (PubChem CID 86922934) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.35 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-3-[4-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-3-[4-(difluoromethoxy)phenyl]propanamide
PubChem CID86922934
Molecular FormulaC17H20F2N2O2
Molecular Weight322.35 g/mol
Exact Mass322.15
IUPAC NameN-(1-cyanocyclohexyl)-3-[4-(difluoromethoxy)phenyl]propanamide
SMILESN#CC1(NC(=O)CCc2ccc(OC(F)F)cc2)CCCCC1
InChIInChI=1S/C17H20F2N2O2/c18-16(19)23-14-7-4-13(5-8-14)6-9-15(22)21-17(12-20)10-2-1-3-11-17/h4-5,7-8,16H,1-3,6,9-11H2,(H,21,22)
InChIKeyFIOUUCMEJOXTKO-UHFFFAOYSA-N
XLogP3.56
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide
CID 36586094
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 7291016
3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide
CID 78830459
N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide
CID 78830549
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate
CID 7659084
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609690
3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
N-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide
CID 60704762
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352
3-[4-(difluoromethoxy)phenyl]-N-methylsulfonylpropanamide
CID 146154209
N-(1-cyanocyclopentyl)-4-phenoxybutanamide
CID 86978972
N-(1-cyanocycloheptyl)-3-ethoxypropanamide
CID 62591017

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-3-[4-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of N-(1-cyanocyclohexyl)-3-[4-(difluoromethoxy)phenyl]propanamide (CID 86922934) is N-(1-cyanocyclohexyl)-3-[4-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-3-[4-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-3-[4-(difluoromethoxy)phenyl]propanamide is N#CC1(NC(=O)CCc2ccc(OC(F)F)cc2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-3-[4-(difluoromethoxy)phenyl]propanamide?
The InChIKey is FIOUUCMEJOXTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c18-16(19)23-14-7-4-13(5-8-14)6-9-15(22)21-17(12-20)10-2-1-3-11-17/h4-5,7-8,16H,1-3,6,9-11H2,(H,21,22).
What are the key properties of N-(1-cyanocyclohexyl)-3-[4-(difluoromethoxy)phenyl]propanamide?
N-(1-cyanocyclohexyl)-3-[4-(difluoromethoxy)phenyl]propanamide has a molecular weight of 322.35 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-3-[4-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 86922934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).