4-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-hydroxyoxolane-3-carboxamide

C20H14F3N3O4 — CID 24899211

IUPAC4-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-hydroxyoxolane-3-carboxamide
SMILESN#Cc1ccc(OC2COCC2(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H14F3N3O4/c21-20(22,23)16-7-14(4-3-13(16)9-25)26-18(27)19(28)11-29-10-17(19)30-15-5-1-12(8-24)2-6-15/h1-7,17,28H,10-11H2,(H,26,27)
InChIKeyJIPLLOZJLQOHNH-UHFFFAOYSA-N
MW417.34 g/mol
LogP2.60
Rot. Bonds4

About 4-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-hydroxyoxolane-3-carboxamide

4-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-hydroxyoxolane-3-carboxamide (PubChem CID 24899211) has the molecular formula C20H14F3N3O4 and a molecular weight of 417.34 g/mol. Its IUPAC name is 4-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-hydroxyoxolane-3-carboxamide.

Molecular Properties

Compound Name4-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-hydroxyoxolane-3-carboxamide
PubChem CID24899211
Molecular FormulaC20H14F3N3O4
Molecular Weight417.34 g/mol
Exact Mass417.09
IUPAC Name4-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-hydroxyoxolane-3-carboxamide
SMILESN#Cc1ccc(OC2COCC2(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H14F3N3O4/c21-20(22,23)16-7-14(4-3-13(16)9-25)26-18(27)19(28)11-29-10-17(19)30-15-5-1-12(8-24)2-6-15/h1-7,17,28H,10-11H2,(H,26,27)
InChIKeyJIPLLOZJLQOHNH-UHFFFAOYSA-N
XLogP2.60
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(4-cyanophenoxy)-3-hydroxyoxolan-3-yl]methylamino]-2-(trifluoromethyl)benzonitrile
CID 24899212
3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 65485523
1-[4-cyano-3-(fluoromethyl)phenyl]-3-[4-cyano-3-(trifluoromethyl)phenyl]urea
CID 121259698
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylbutanamide;4-methylbenzonitrile
CID 143505949
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide
CID 87077785
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-oxopropanamide
CID 143610755
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(4-methylphenoxy)propanamide
CID 71022253
N-[4-cyano-3-(trifluoromethyl)phenyl]-3,5-dimethyl-2,4-dihydropyrrole-3-carboxamide
CID 157177699
3-(4-chlorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 67311921
3-[4-cyano-3-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 65484763
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)-5-methyl-1,4-dihydropyrazole-5-carboxamide
CID 71045740
4-[[(2R)-3-(4-cyanophenoxy)-2-hydroxypropyl]amino]-2-(trifluoromethyl)benzonitrile
CID 126600299

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-hydroxyoxolane-3-carboxamide?
The IUPAC name of 4-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-hydroxyoxolane-3-carboxamide (CID 24899211) is 4-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-hydroxyoxolane-3-carboxamide.
What is the SMILES notation for 4-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-hydroxyoxolane-3-carboxamide?
The canonical SMILES for 4-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-hydroxyoxolane-3-carboxamide is N#Cc1ccc(OC2COCC2(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-hydroxyoxolane-3-carboxamide?
The InChIKey is JIPLLOZJLQOHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O4/c21-20(22,23)16-7-14(4-3-13(16)9-25)26-18(27)19(28)11-29-10-17(19)30-15-5-1-12(8-24)2-6-15/h1-7,17,28H,10-11H2,(H,26,27).
What are the key properties of 4-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-hydroxyoxolane-3-carboxamide?
4-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-hydroxyoxolane-3-carboxamide has a molecular weight of 417.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-hydroxyoxolane-3-carboxamide is sourced from PubChem (CID 24899211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).