N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)oxamide

C17H15F3N2O3 — CID 108987352

IUPACN'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)oxamide
SMILESCC(C)Oc1ccccc1NC(=O)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H15F3N2O3/c1-9(2)25-13-6-4-3-5-11(13)21-16(23)17(24)22-12-8-7-10(18)14(19)15(12)20/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyPOXUEVCLHLKKMX-UHFFFAOYSA-N
MW352.31 g/mol
LogP3.47
Rot. Bonds4

About N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)oxamide

N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)oxamide (PubChem CID 108987352) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)oxamide.

Molecular Properties

Compound NameN'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)oxamide
PubChem CID108987352
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC NameN'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)oxamide
SMILESCC(C)Oc1ccccc1NC(=O)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H15F3N2O3/c1-9(2)25-13-6-4-3-5-11(13)21-16(23)17(24)22-12-8-7-10(18)14(19)15(12)20/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyPOXUEVCLHLKKMX-UHFFFAOYSA-N
XLogP3.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108955874
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide
CID 47224066
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759
N-(3-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide
CID 108987238
4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150874
1-amino-3-(2-propan-2-yloxyphenyl)urea
CID 82283845
1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892439
N-(4-fluorophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108954811
N-(4-ethoxyphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide
CID 108987274
2-(N-acetyl-3,4-difluoroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113181683
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(difluoromethoxy)benzoate
CID 7609608

Frequently Asked Questions

What is the IUPAC name of N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)oxamide?
The IUPAC name of N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)oxamide (CID 108987352) is N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)oxamide.
What is the SMILES notation for N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)oxamide?
The canonical SMILES for N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)oxamide is CC(C)Oc1ccccc1NC(=O)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)oxamide?
The InChIKey is POXUEVCLHLKKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-9(2)25-13-6-4-3-5-11(13)21-16(23)17(24)22-12-8-7-10(18)14(19)15(12)20/h3-9H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)oxamide?
N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)oxamide has a molecular weight of 352.31 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)oxamide is sourced from PubChem (CID 108987352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).