4-(4-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide

C21H22F3NO3 — CID 47720644

IUPAC4-(4-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)NCc3ccc(C(F)(F)F)cc3)CCOCC2)cc1
InChIInChI=1S/C21H22F3NO3/c1-27-18-8-6-16(7-9-18)20(10-12-28-13-11-20)19(26)25-14-15-2-4-17(5-3-15)21(22,23)24/h2-9H,10-14H2,1H3,(H,25,26)
InChIKeyVFURBYZEOQEWDX-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.08
Rot. Bonds5

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

4-(4-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide (PubChem CID 47720644) has the molecular formula C21H22F3NO3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
PubChem CID47720644
Molecular FormulaC21H22F3NO3
Molecular Weight393.41 g/mol
Exact Mass393.16
IUPAC Name4-(4-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)NCc3ccc(C(F)(F)F)cc3)CCOCC2)cc1
InChIInChI=1S/C21H22F3NO3/c1-27-18-8-6-16(7-9-18)20(10-12-28-13-11-20)19(26)25-14-15-2-4-17(5-3-15)21(22,23)24/h2-9H,10-14H2,1H3,(H,25,26)
InChIKeyVFURBYZEOQEWDX-UHFFFAOYSA-N
XLogP4.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198206
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
4-[[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]methyl]benzoic acid
CID 119128001
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 113198645
1-(4-acetamidophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110552
1-[4-(methanesulfonamido)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 53110671
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 90599978
N'-[(4-hydroxyoxan-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 90534226
N-[1-(4-methoxyphenyl)cyclopentyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52845959
N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 51092485
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42265583

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide (CID 47720644) is 4-(4-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide is COc1ccc(C2(C(=O)NCc3ccc(C(F)(F)F)cc3)CCOCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide?
The InChIKey is VFURBYZEOQEWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO3/c1-27-18-8-6-16(7-9-18)20(10-12-28-13-11-20)19(26)25-14-15-2-4-17(5-3-15)21(22,23)24/h2-9H,10-14H2,1H3,(H,25,26).
What are the key properties of 4-(4-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide?
4-(4-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 47720644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).