4-(difluoromethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide

C14H16F2N2O2 — CID 114693576

IUPAC4-(difluoromethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
SMILESO=C(NCC1=CCNCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H16F2N2O2/c15-14(16)20-12-3-1-11(2-4-12)13(19)18-9-10-5-7-17-8-6-10/h1-5,14,17H,6-9H2,(H,18,19)
InChIKeyADBSDWXHLAKPKM-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.94
Rot. Bonds5

About 4-(difluoromethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide

4-(difluoromethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide (PubChem CID 114693576) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
PubChem CID114693576
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name4-(difluoromethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
SMILESO=C(NCC1=CCNCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H16F2N2O2/c15-14(16)20-12-3-1-11(2-4-12)13(19)18-9-10-5-7-17-8-6-10/h1-5,14,17H,6-9H2,(H,18,19)
InChIKeyADBSDWXHLAKPKM-UHFFFAOYSA-N
XLogP1.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(difluoromethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 104954975
4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide
CID 125448120
4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide
CID 40650902
3-chloro-4-iodo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 104954986
N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide
CID 115365450
N-(1,3-benzodioxol-5-ylmethyl)-4-(difluoromethoxy)benzamide
CID 2623503
4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793978
2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 114693546
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-(difluoromethoxy)benzamide
CID 99805745
4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 26060041
N-(3-amino-2,2-difluoropropyl)-4-(difluoromethoxy)benzamide
CID 114383585
4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78956822

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide (CID 114693576) is 4-(difluoromethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide is O=C(NCC1=CCNCC1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
The InChIKey is ADBSDWXHLAKPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c15-14(16)20-12-3-1-11(2-4-12)13(19)18-9-10-5-7-17-8-6-10/h1-5,14,17H,6-9H2,(H,18,19).
What are the key properties of 4-(difluoromethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
4-(difluoromethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide has a molecular weight of 282.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 114693576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).