1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide

C20H19F3N2O3 — CID 109045666

IUPAC1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
SMILESO=C(NCC1CCCO1)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)16-5-1-2-6-17(16)25-19(27)14-9-7-13(8-10-14)18(26)24-12-15-4-3-11-28-15/h1-2,5-10,15H,3-4,11-12H2,(H,24,26)(H,25,27)
InChIKeyJUCZHXLRVBXSAZ-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.87
Rot. Bonds5

About 1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide

1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide (PubChem CID 109045666) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
PubChem CID109045666
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
SMILESO=C(NCC1CCCO1)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)16-5-1-2-6-17(16)25-19(27)14-9-7-13(8-10-14)18(26)24-12-15-4-3-11-28-15/h1-2,5-10,15H,3-4,11-12H2,(H,24,26)(H,25,27)
InChIKeyJUCZHXLRVBXSAZ-UHFFFAOYSA-N
XLogP3.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 43013842
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109045697
(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-[2-(trifluoromethyl)anilino]prop-2-enamide
CID 108839145
4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045638
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
N-(oxan-2-ylmethyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118760932
2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109365945
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 40973251
2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013852

Frequently Asked Questions

What is the IUPAC name of 1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide (CID 109045666) is 1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide is O=C(NCC1CCCO1)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide?
The InChIKey is JUCZHXLRVBXSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-20(22,23)16-5-1-2-6-17(16)25-19(27)14-9-7-13(8-10-14)18(26)24-12-15-4-3-11-28-15/h1-2,5-10,15H,3-4,11-12H2,(H,24,26)(H,25,27).
What are the key properties of 1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide?
1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide has a molecular weight of 392.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).