2-oxo-2-(2-propanoylhydrazinyl)-N-(2,3,4-trifluorophenyl)acetamide

C11H10F3N3O3 — CID 86792649

IUPAC2-oxo-2-(2-propanoylhydrazinyl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H10F3N3O3/c1-2-7(18)16-17-11(20)10(19)15-6-4-3-5(12)8(13)9(6)14/h3-4H,2H2,1H3,(H,15,19)(H,16,18)(H,17,20)
InChIKeyPNGPRHLHIVNNBV-UHFFFAOYSA-N
MW289.21 g/mol
LogP0.60
Rot. Bonds2

About 2-oxo-2-(2-propanoylhydrazinyl)-N-(2,3,4-trifluorophenyl)acetamide

2-oxo-2-(2-propanoylhydrazinyl)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 86792649) has the molecular formula C11H10F3N3O3 and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-oxo-2-(2-propanoylhydrazinyl)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-oxo-2-(2-propanoylhydrazinyl)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID86792649
Molecular FormulaC11H10F3N3O3
Molecular Weight289.21 g/mol
Exact Mass289.07
IUPAC Name2-oxo-2-(2-propanoylhydrazinyl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H10F3N3O3/c1-2-7(18)16-17-11(20)10(19)15-6-4-3-5(12)8(13)9(6)14/h3-4H,2H2,1H3,(H,15,19)(H,16,18)(H,17,20)
InChIKeyPNGPRHLHIVNNBV-UHFFFAOYSA-N
XLogP0.60
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide
CID 47224066
N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide
CID 108506939
N-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108514530
1-pentan-3-yl-3-(2,3,4-trifluorophenyl)urea
CID 47132828
N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108524160
N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 47224594
N-propyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108940771
1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea
CID 47173418
N'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide
CID 86995752
N-(2,3,4-trifluorophenyl)carbamoyl chloride
CID 135378895
2-tert-butylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 78781855
N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide
CID 113023032

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(2-propanoylhydrazinyl)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-oxo-2-(2-propanoylhydrazinyl)-N-(2,3,4-trifluorophenyl)acetamide (CID 86792649) is 2-oxo-2-(2-propanoylhydrazinyl)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-oxo-2-(2-propanoylhydrazinyl)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-oxo-2-(2-propanoylhydrazinyl)-N-(2,3,4-trifluorophenyl)acetamide is CCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-oxo-2-(2-propanoylhydrazinyl)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is PNGPRHLHIVNNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3/c1-2-7(18)16-17-11(20)10(19)15-6-4-3-5(12)8(13)9(6)14/h3-4H,2H2,1H3,(H,15,19)(H,16,18)(H,17,20).
What are the key properties of 2-oxo-2-(2-propanoylhydrazinyl)-N-(2,3,4-trifluorophenyl)acetamide?
2-oxo-2-(2-propanoylhydrazinyl)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 289.21 g/mol, XLogP of 0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(2-propanoylhydrazinyl)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 86792649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).