N'-(2-cyanophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide

C18H14F3N3O3 — CID 56765500

IUPACN'-(2-cyanophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O3/c19-18(20,21)13-7-5-11(6-8-13)15(25)10-23-16(26)17(27)24-14-4-2-1-3-12(14)9-22/h1-8,15,25H,10H2,(H,23,26)(H,24,27)
InChIKeyMUCGDMLIKIMHQK-UHFFFAOYSA-N
MW377.32 g/mol
LogP2.37
Rot. Bonds4

About N'-(2-cyanophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide

N'-(2-cyanophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide (PubChem CID 56765500) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
PubChem CID56765500
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC NameN'-(2-cyanophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O3/c19-18(20,21)13-7-5-11(6-8-13)15(25)10-23-16(26)17(27)24-14-4-2-1-3-12(14)9-22/h1-8,15,25H,10H2,(H,23,26)(H,24,27)
InChIKeyMUCGDMLIKIMHQK-UHFFFAOYSA-N
XLogP2.37
TPSA102.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide (CID 56765500) is N'-(2-cyanophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide is N#Cc1ccccc1NC(=O)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-(2-cyanophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The InChIKey is MUCGDMLIKIMHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c19-18(20,21)13-7-5-11(6-8-13)15(25)10-23-16(26)17(27)24-14-4-2-1-3-12(14)9-22/h1-8,15,25H,10H2,(H,23,26)(H,24,27).
What are the key properties of N'-(2-cyanophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
N'-(2-cyanophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide has a molecular weight of 377.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide is sourced from PubChem (CID 56765500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).