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

C19H19F3N2O4 — CID 56765509

IUPACN'-(4-ethoxyphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H19F3N2O4/c1-2-28-15-9-7-14(8-10-15)24-18(27)17(26)23-11-16(25)12-3-5-13(6-4-12)19(20,21)22/h3-10,16,25H,2,11H2,1H3,(H,23,26)(H,24,27)
InChIKeyJDIZMEINYABUPT-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.89
Rot. Bonds6

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

N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide (PubChem CID 56765509) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
PubChem CID56765509
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC NameN'-(4-ethoxyphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H19F3N2O4/c1-2-28-15-9-7-14(8-10-15)24-18(27)17(26)23-11-16(25)12-3-5-13(6-4-12)19(20,21)22/h3-10,16,25H,2,11H2,1H3,(H,23,26)(H,24,27)
InChIKeyJDIZMEINYABUPT-UHFFFAOYSA-N
XLogP2.89
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.89
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'-(4-ethoxyphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The IUPAC name of N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide (CID 56765509) is N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide is CCOc1ccc(NC(=O)C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
The InChIKey is JDIZMEINYABUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-2-28-15-9-7-14(8-10-15)24-18(27)17(26)23-11-16(25)12-3-5-13(6-4-12)19(20,21)22/h3-10,16,25H,2,11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide?
N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide has a molecular weight of 396.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide is sourced from PubChem (CID 56765509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).