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

C11H11F3N2O2 — CID 47224066

IUPACN'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide
SMILESCC(C)NC(=O)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H11F3N2O2/c1-5(2)15-10(17)11(18)16-7-4-3-6(12)8(13)9(7)14/h3-5H,1-2H3,(H,15,17)(H,16,18)
InChIKeyURQXFMCGXQEEAA-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.57
Rot. Bonds2

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

N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide (PubChem CID 47224066) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide.

Molecular Properties

Compound NameN'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide
PubChem CID47224066
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC NameN'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide
SMILESCC(C)NC(=O)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H11F3N2O2/c1-5(2)15-10(17)11(18)16-7-4-3-6(12)8(13)9(7)14/h3-5H,1-2H3,(H,15,17)(H,16,18)
InChIKeyURQXFMCGXQEEAA-UHFFFAOYSA-N
XLogP1.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea
CID 47173418
1-propan-2-yl-3-(2,3,4-trifluorophenyl)thiourea
CID 7991832
N-(2-fluorophenyl)-N'-propan-2-yloxamide
CID 2291553
N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide
CID 108506939
2-oxo-2-(2-propanoylhydrazinyl)-N-(2,3,4-trifluorophenyl)acetamide
CID 86792649
(Z)-2-cyano-N-propan-2-yl-3-(2,3,4-trifluoroanilino)prop-2-enamide
CID 108829770
N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108987352
(2S)-2-[(2,3,4-trifluorophenyl)carbamoylamino]propanoic acid
CID 28508673
N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide
CID 47147961
N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108524160
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide
CID 2988512

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide?
The IUPAC name of N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide (CID 47224066) is N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide.
What is the SMILES notation for N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide?
The canonical SMILES for N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide is CC(C)NC(=O)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide?
The InChIKey is URQXFMCGXQEEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-5(2)15-10(17)11(18)16-7-4-3-6(12)8(13)9(7)14/h3-5H,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide?
N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide has a molecular weight of 260.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide is sourced from PubChem (CID 47224066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).