N-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide

C16H22F2N2O2 — CID 47010791

IUPACN-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide
SMILESO=C(CNc1ccc(OC(F)F)cc1)NC1CCCCCC1
InChIInChI=1S/C16H22F2N2O2/c17-16(18)22-14-9-7-12(8-10-14)19-11-15(21)20-13-5-3-1-2-4-6-13/h7-10,13,16,19H,1-6,11H2,(H,20,21)
InChIKeyLSWARUZTSUMEJA-UHFFFAOYSA-N
MW312.36 g/mol
LogP3.54
Rot. Bonds6

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

N-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide (PubChem CID 47010791) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is N-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide
PubChem CID47010791
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC NameN-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide
SMILESO=C(CNc1ccc(OC(F)F)cc1)NC1CCCCCC1
InChIInChI=1S/C16H22F2N2O2/c17-16(18)22-14-9-7-12(8-10-14)19-11-15(21)20-13-5-3-1-2-4-6-13/h7-10,13,16,19H,1-6,11H2,(H,20,21)
InChIKeyLSWARUZTSUMEJA-UHFFFAOYSA-N
XLogP3.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-(4-ethoxyanilino)acetamide
CID 28569669
2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone
CID 43217862
N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108942623
N-carbamoyl-2-[4-(difluoromethoxy)anilino]acetamide
CID 43089723
2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide
CID 62226849
N-cyclopentyl-2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
CID 6905797
N-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide
CID 36586094
N-cyclopentyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108942248
N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide
CID 78862058
(E)-N-cyclooctyl-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7962251
2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822256
N-cycloheptyl-2-(3,4,5-trifluoroanilino)acetamide
CID 62810286

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide?
The IUPAC name of N-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide (CID 47010791) is N-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide is O=C(CNc1ccc(OC(F)F)cc1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide?
The InChIKey is LSWARUZTSUMEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c17-16(18)22-14-9-7-12(8-10-14)19-11-15(21)20-13-5-3-1-2-4-6-13/h7-10,13,16,19H,1-6,11H2,(H,20,21).
What are the key properties of N-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide?
N-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide has a molecular weight of 312.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[4-(difluoromethoxy)anilino]acetamide is sourced from PubChem (CID 47010791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).