N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohexanecarboxamide

C19H26FNO2 — CID 27450029

IUPACN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohexanecarboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)C1CCCCC1
InChIInChI=1S/C19H26FNO2/c20-17-8-6-16(7-9-17)19(10-12-23-13-11-19)14-21-18(22)15-4-2-1-3-5-15/h6-9,15H,1-5,10-14H2,(H,21,22)
InChIKeyOTCHUIWWELXLFG-UHFFFAOYSA-N
MW319.42 g/mol
LogP3.57
Rot. Bonds4

About N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohexanecarboxamide

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohexanecarboxamide (PubChem CID 27450029) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohexanecarboxamide
PubChem CID27450029
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohexanecarboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)C1CCCCC1
InChIInChI=1S/C19H26FNO2/c20-17-8-6-16(7-9-17)19(10-12-23-13-11-19)14-21-18(22)15-4-2-1-3-5-15/h6-9,15H,1-5,10-14H2,(H,21,22)
InChIKeyOTCHUIWWELXLFG-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohexanecarboxamide 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

N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
(4-Phenyl-tetrahydro-pyran-4-yl)-piperidin-1-yl-methanone
CID 649168
N-(oxan-4-yl)-6-phenylhexanamide
CID 154665768
N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 755211
3-(4-fluorophenyl)-N-[(4-phenyltetrahydro-2H-pyran-4-yl)methyl]acrylamide
CID 1212752
4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide
CID 2900568
N-{[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl}-1-(4-fluorophenyl)cyclohexanecarboxamide
CID 25130210
N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)cinnamamide
CID 846516
2-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 709759
N-(3-butoxypropyl)-3-phenylbutanamide
CID 2915773
N-[3-(morpholin-4-yl)propyl]-4-phenyltetrahydro-2H-pyran-4-carboxamide
CID 662833
4-Phenyl-tetrahydro-pyran-4-carboxylic acid isopropylamide
CID 972737

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohexanecarboxamide (CID 27450029) is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohexanecarboxamide is O=C(NCC1(c2ccc(F)cc2)CCOCC1)C1CCCCC1.
What is the InChIKey of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohexanecarboxamide?
The InChIKey is OTCHUIWWELXLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO2/c20-17-8-6-16(7-9-17)19(10-12-23-13-11-19)14-21-18(22)15-4-2-1-3-5-15/h6-9,15H,1-5,10-14H2,(H,21,22).
What are the key properties of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohexanecarboxamide?
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohexanecarboxamide has a molecular weight of 319.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 27450029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).