4-phenyl-N-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide

C19H18F3NO2 — CID 687949

IUPAC4-phenyl-N-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H18F3NO2/c20-19(21,22)15-7-4-8-16(13-15)23-17(24)18(9-11-25-12-10-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,23,24)
InChIKeyHBLSSUBOZZILQD-UHFFFAOYSA-N
MW349.35 g/mol
LogP4.39
Rot. Bonds3

About 4-phenyl-N-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide

4-phenyl-N-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide (PubChem CID 687949) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 4-phenyl-N-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
PubChem CID687949
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name4-phenyl-N-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H18F3NO2/c20-19(21,22)15-7-4-8-16(13-15)23-17(24)18(9-11-25-12-10-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,23,24)
InChIKeyHBLSSUBOZZILQD-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-N-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide 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

9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide
CID 25023793
N-(4-Amino-4'-Fluoro[1,1'-Biphenyl]-3-Yl)oxane-4-Carboxamide
CID 71465631
(3-Exo)-N-(4-Amino-4'-Fluoro[1,1'-Biphenyl]-3-Yl)-8-Oxabicyclo[3.2.1]octane-3-Carboxamide
CID 121499152
N-(4-acetylphenyl)-4-phenyltetrahydro-2H-pyran-4-carboxamide
CID 756636
N-(4-methylphenyl)-4-phenyloxane-4-carboxamide
CID 744209
2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 2890716
N-[4-(hydroxycarbamoyl)phenyl]-4-phenyloxane-4-carboxamide
CID 156015340
4-(4-aminophenyl)-N-[4-(hydroxycarbamoyl)phenyl]oxane-4-carboxamide
CID 156016335
Ethyl 1-[3-(4-fluoroanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate
CID 4018333
N-[2-amino-4-fluoro-5-(4-fluorophenyl)phenyl]oxane-4-carboxamide
CID 124190456
N-[6-amino-2-fluoro-3-(4-fluorophenyl)phenyl]oxane-4-carboxamide
CID 124190923
N-(4-nitrophenyl)-4-phenyloxane-4-carboxamide
CID 2901255

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide (CID 687949) is 4-phenyl-N-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The InChIKey is HBLSSUBOZZILQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO2/c20-19(21,22)15-7-4-8-16(13-15)23-17(24)18(9-11-25-12-10-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,23,24).
What are the key properties of 4-phenyl-N-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
4-phenyl-N-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 687949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).