N-[4-[(2-fluoro-5-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide

C20H20F4N2O2 — CID 166247509

IUPACN-[4-[(2-fluoro-5-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESCc1ccc(F)c(CNc2ccc(NC(=O)C3CCCO3)cc2C(F)(F)F)c1
InChIInChI=1S/C20H20F4N2O2/c1-12-4-6-16(21)13(9-12)11-25-17-7-5-14(10-15(17)20(22,23)24)26-19(27)18-3-2-8-28-18/h4-7,9-10,18,25H,2-3,8,11H2,1H3,(H,26,27)
InChIKeyFZOVTXYBLFNHOD-UHFFFAOYSA-N
MW396.38 g/mol
LogP4.88
Rot. Bonds5

About N-[4-[(2-fluoro-5-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide

N-[4-[(2-fluoro-5-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide (PubChem CID 166247509) has the molecular formula C20H20F4N2O2 and a molecular weight of 396.38 g/mol. Its IUPAC name is N-[4-[(2-fluoro-5-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-fluoro-5-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
PubChem CID166247509
Molecular FormulaC20H20F4N2O2
Molecular Weight396.38 g/mol
Exact Mass396.15
IUPAC NameN-[4-[(2-fluoro-5-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
SMILESCc1ccc(F)c(CNc2ccc(NC(=O)C3CCCO3)cc2C(F)(F)F)c1
InChIInChI=1S/C20H20F4N2O2/c1-12-4-6-16(21)13(9-12)11-25-17-7-5-14(10-15(17)20(22,23)24)26-19(27)18-3-2-8-28-18/h4-7,9-10,18,25H,2-3,8,11H2,1H3,(H,26,27)
InChIKeyFZOVTXYBLFNHOD-UHFFFAOYSA-N
XLogP4.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[4-[(2-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 99782579
N-[4-[3-(4-methylphenyl)sulfonylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782047
N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782396
N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781948
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-[4-[3-(2-fluorophenyl)sulfanylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782086
N-[4-(3,3-diphenylpropanoylamino)-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781955
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
N-(3-fluoro-4-methylphenyl)oxane-2-carboxamide
CID 155941835
ethyl 2-methyl-6-[[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55782300
6-(dimethylamino)-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87001389

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluoro-5-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[(2-fluoro-5-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide (CID 166247509) is N-[4-[(2-fluoro-5-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[(2-fluoro-5-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[(2-fluoro-5-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide is Cc1ccc(F)c(CNc2ccc(NC(=O)C3CCCO3)cc2C(F)(F)F)c1.
What is the InChIKey of N-[4-[(2-fluoro-5-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is FZOVTXYBLFNHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O2/c1-12-4-6-16(21)13(9-12)11-25-17-7-5-14(10-15(17)20(22,23)24)26-19(27)18-3-2-8-28-18/h4-7,9-10,18,25H,2-3,8,11H2,1H3,(H,26,27).
What are the key properties of N-[4-[(2-fluoro-5-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide?
N-[4-[(2-fluoro-5-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 396.38 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-fluoro-5-methylphenyl)methylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 166247509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).