N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

C21H20F4N2O3 — CID 27453183

IUPACN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H20F4N2O3/c22-16-5-1-14(2-6-16)20(9-11-30-12-10-20)13-26-18(28)19(29)27-17-7-3-15(4-8-17)21(23,24)25/h1-8H,9-13H2,(H,26,28)(H,27,29)
InChIKeyFOYQDZIFNGOBGW-UHFFFAOYSA-N
MW424.39 g/mol
LogP3.65
Rot. Bonds4

About N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 27453183) has the molecular formula C21H20F4N2O3 and a molecular weight of 424.39 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID27453183
Molecular FormulaC21H20F4N2O3
Molecular Weight424.39 g/mol
Exact Mass424.14
IUPAC NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H20F4N2O3/c22-16-5-1-14(2-6-16)20(9-11-30-12-10-20)13-26-18(28)19(29)27-17-7-3-15(4-8-17)21(23,24)25/h1-8H,9-13H2,(H,26,28)(H,27,29)
InChIKeyFOYQDZIFNGOBGW-UHFFFAOYSA-N
XLogP3.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide 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'-(4-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 23606974
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide
CID 27453070
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 27452628
N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 129397923
N'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide
CID 42335602
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42266020
N'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide
CID 42335594
N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27453065
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
1-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 86838192
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 27452245
2-[[4-(4-fluorophenyl)oxan-4-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182430

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide (CID 27453183) is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide is O=C(NCC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is FOYQDZIFNGOBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N2O3/c22-16-5-1-14(2-6-16)20(9-11-30-12-10-20)13-26-18(28)19(29)27-17-7-3-15(4-8-17)21(23,24)25/h1-8H,9-13H2,(H,26,28)(H,27,29).
What are the key properties of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 424.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 27453183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).