N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide

C12H13F3N2O2 — CID 108506939

IUPACN'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide
SMILESCC(C)(C)NC(=O)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C12H13F3N2O2/c1-12(2,3)17-11(19)10(18)16-7-5-4-6(13)8(14)9(7)15/h4-5H,1-3H3,(H,16,18)(H,17,19)
InChIKeyXNVNQQJKMYIGPV-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.96
Rot. Bonds1

About N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide

N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide (PubChem CID 108506939) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide
PubChem CID108506939
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC NameN'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide
SMILESCC(C)(C)NC(=O)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C12H13F3N2O2/c1-12(2,3)17-11(19)10(18)16-7-5-4-6(13)8(14)9(7)15/h4-5H,1-3H3,(H,16,18)(H,17,19)
InChIKeyXNVNQQJKMYIGPV-UHFFFAOYSA-N
XLogP1.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.96
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

N'-tert-butyl-N-(2,5-difluorophenyl)oxamide
CID 44998522
N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide
CID 47224066
1-N-tert-butyl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139689
N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108524160
(Z)-N-tert-butyl-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide
CID 108837944
2-oxo-2-(2-propanoylhydrazinyl)-N-(2,3,4-trifluorophenyl)acetamide
CID 86792649
N-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108514530
N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108532495
N-(2,3,4-trifluorophenyl)carbamoyl chloride
CID 135378895
2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide
CID 18155036
N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 47224594
2-tert-butylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 78781855

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide?
The IUPAC name of N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide (CID 108506939) is N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide.
What is the SMILES notation for N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide?
The canonical SMILES for N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide is CC(C)(C)NC(=O)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide?
The InChIKey is XNVNQQJKMYIGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-12(2,3)17-11(19)10(18)16-7-5-4-6(13)8(14)9(7)15/h4-5H,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide?
N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide has a molecular weight of 274.24 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide is sourced from PubChem (CID 108506939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).