N-[4-(3,3-diphenylpropanoylamino)-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide

C27H25F3N2O3 — CID 55781955

IUPACN-[4-(3,3-diphenylpropanoylamino)-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(NC(=O)C2CCCO2)cc1C(F)(F)F
InChIInChI=1S/C27H25F3N2O3/c28-27(29,30)22-16-20(31-26(34)24-12-7-15-35-24)13-14-23(22)32-25(33)17-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,16,21,24H,7,12,15,17H2,(H,31,34)(H,32,33)
InChIKeyXMUIXHBPIJPLRC-UHFFFAOYSA-N
MW482.50 g/mol
LogP5.98
Rot. Bonds7

About N-[4-(3,3-diphenylpropanoylamino)-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide

N-[4-(3,3-diphenylpropanoylamino)-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide (PubChem CID 55781955) has the molecular formula C27H25F3N2O3 and a molecular weight of 482.50 g/mol. Its IUPAC name is N-[4-(3,3-diphenylpropanoylamino)-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,3-diphenylpropanoylamino)-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
PubChem CID55781955
Molecular FormulaC27H25F3N2O3
Molecular Weight482.50 g/mol
Exact Mass482.18
IUPAC NameN-[4-(3,3-diphenylpropanoylamino)-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(NC(=O)C2CCCO2)cc1C(F)(F)F
InChIInChI=1S/C27H25F3N2O3/c28-27(29,30)22-16-20(31-26(34)24-12-7-15-35-24)13-14-23(22)32-25(33)17-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,16,21,24H,7,12,15,17H2,(H,31,34)(H,32,33)
InChIKeyXMUIXHBPIJPLRC-UHFFFAOYSA-N
XLogP5.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.50
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(2-fluorophenyl)sulfanylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782086
(2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 99782579
N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782372
N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 55782053
N-[4-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782047
N-[4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781986
N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782396
N-[4-[[3-(cyanomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 78886992
N-[4-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 78886392
N-[4-[(2-fluoro-5-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 166247509
N-[4-[(4-chloro-3-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782239
(2R)-N-[4-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 51958687

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-diphenylpropanoylamino)-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(3,3-diphenylpropanoylamino)-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide (CID 55781955) is N-[4-(3,3-diphenylpropanoylamino)-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(3,3-diphenylpropanoylamino)-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(3,3-diphenylpropanoylamino)-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide is O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(NC(=O)C2CCCO2)cc1C(F)(F)F.
What is the InChIKey of N-[4-(3,3-diphenylpropanoylamino)-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is XMUIXHBPIJPLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N2O3/c28-27(29,30)22-16-20(31-26(34)24-12-7-15-35-24)13-14-23(22)32-25(33)17-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,16,21,24H,7,12,15,17H2,(H,31,34)(H,32,33).
What are the key properties of N-[4-(3,3-diphenylpropanoylamino)-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
N-[4-(3,3-diphenylpropanoylamino)-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 482.50 g/mol, XLogP of 5.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-diphenylpropanoylamino)-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 55781955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).