(2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide

C20H21F3N2O2 — CID 99782579

IUPAC(2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESCc1ccccc1CNc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F
InChIInChI=1S/C20H21F3N2O2/c1-13-5-2-3-6-14(13)12-24-17-9-8-15(11-16(17)20(21,22)23)25-19(26)18-7-4-10-27-18/h2-3,5-6,8-9,11,18,24H,4,7,10,12H2,1H3,(H,25,26)/t18-/m1/s1
InChIKeyCUEXLORTMCGJOL-GOSISDBHSA-N
MW378.39 g/mol
LogP4.74
Rot. Bonds5

About (2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide

(2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide (PubChem CID 99782579) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is (2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
PubChem CID99782579
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name(2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESCc1ccccc1CNc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F
InChIInChI=1S/C20H21F3N2O2/c1-13-5-2-3-6-14(13)12-24-17-9-8-15(11-16(17)20(21,22)23)25-19(26)18-7-4-10-27-18/h2-3,5-6,8-9,11,18,24H,4,7,10,12H2,1H3,(H,25,26)/t18-/m1/s1
InChIKeyCUEXLORTMCGJOL-GOSISDBHSA-N
XLogP4.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-fluoro-5-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 166247509
N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782396
N-[4-(3,3-diphenylpropanoylamino)-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781955
N-[4-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 78886392
N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782372
N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 6460297
N-[4-[3-(2-fluorophenyl)sulfanylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782086
N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 42890216
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-[3-[[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111359089
ethyl 2-methyl-6-[[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55782300

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide (CID 99782579) is (2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide is Cc1ccccc1CNc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F.
What is the InChIKey of (2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is CUEXLORTMCGJOL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-13-5-2-3-6-14(13)12-24-17-9-8-15(11-16(17)20(21,22)23)25-19(26)18-7-4-10-27-18/h2-3,5-6,8-9,11,18,24H,4,7,10,12H2,1H3,(H,25,26)/t18-/m1/s1.
What are the key properties of (2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
(2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 99782579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).