N-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide

C16H19F2N3O2 — CID 36586094

IUPACN-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide
SMILESN#CC1(NC(=O)CNc2ccc(OC(F)F)cc2)CCCCC1
InChIInChI=1S/C16H19F2N3O2/c17-15(18)23-13-6-4-12(5-7-13)20-10-14(22)21-16(11-19)8-2-1-3-9-16/h4-7,15,20H,1-3,8-10H2,(H,21,22)
InChIKeyQCXUERYAMOEGBD-UHFFFAOYSA-N
MW323.34 g/mol
LogP3.04
Rot. Bonds6

About N-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide

N-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide (PubChem CID 36586094) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide
PubChem CID36586094
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC NameN-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide
SMILESN#CC1(NC(=O)CNc2ccc(OC(F)F)cc2)CCCCC1
InChIInChI=1S/C16H19F2N3O2/c17-15(18)23-13-6-4-12(5-7-13)20-10-14(22)21-16(11-19)8-2-1-3-9-16/h4-7,15,20H,1-3,8-10H2,(H,21,22)
InChIKeyQCXUERYAMOEGBD-UHFFFAOYSA-N
XLogP3.04
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyanocyclohexyl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922934
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 7291016
2-(4-cyanoanilino)-N-(1-cyanocyclopentyl)acetamide
CID 26507758
N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide
CID 51183090
N-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide
CID 47010791
methyl 2-chloro-5-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]amino]benzoate
CID 37230490
2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone
CID 43217862
N-carbamoyl-2-[4-(difluoromethoxy)anilino]acetamide
CID 43089723
N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide
CID 110877972
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide
CID 37479013
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609690
N-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide
CID 33005767

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide (CID 36586094) is N-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide is N#CC1(NC(=O)CNc2ccc(OC(F)F)cc2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide?
The InChIKey is QCXUERYAMOEGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c17-15(18)23-13-6-4-12(5-7-13)20-10-14(22)21-16(11-19)8-2-1-3-9-16/h4-7,15,20H,1-3,8-10H2,(H,21,22).
What are the key properties of N-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide?
N-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide has a molecular weight of 323.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide is sourced from PubChem (CID 36586094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).