N'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide

C16H10F5N3O3 — CID 86995752

IUPACN'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide
SMILESO=C(CNC(=O)C(=O)Nc1ccc(F)cc1F)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H10F5N3O3/c17-7-1-3-10(9(19)5-7)24-16(27)15(26)22-6-12(25)23-11-4-2-8(18)13(20)14(11)21/h1-5H,6H2,(H,22,26)(H,23,25)(H,24,27)
InChIKeyJINHFPXUZUAXFU-UHFFFAOYSA-N
MW387.26 g/mol
LogP2.08
Rot. Bonds4

About N'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide

N'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide (PubChem CID 86995752) has the molecular formula C16H10F5N3O3 and a molecular weight of 387.26 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide
PubChem CID86995752
Molecular FormulaC16H10F5N3O3
Molecular Weight387.26 g/mol
Exact Mass387.06
IUPAC NameN'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide
SMILESO=C(CNC(=O)C(=O)Nc1ccc(F)cc1F)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H10F5N3O3/c17-7-1-3-10(9(19)5-7)24-16(27)15(26)22-6-12(25)23-11-4-2-8(18)13(20)14(11)21/h1-5H,6H2,(H,22,26)(H,23,25)(H,24,27)
InChIKeyJINHFPXUZUAXFU-UHFFFAOYSA-N
XLogP2.08
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 52.08
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'}

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Related Compounds

N'-(3,5-dichlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide
CID 47043076
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide
CID 3648870
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide
CID 2986647
3-(4-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]prop-2-enamide
CID 4845144
N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7292792
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541504
N-(3-hydroxypropyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 47224594
N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide
CID 86996766
2-[[N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 111921102
2-[(N'-methylcarbamimidoyl)amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 110913519

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide (CID 86995752) is N'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide is O=C(CNC(=O)C(=O)Nc1ccc(F)cc1F)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide?
The InChIKey is JINHFPXUZUAXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F5N3O3/c17-7-1-3-10(9(19)5-7)24-16(27)15(26)22-6-12(25)23-11-4-2-8(18)13(20)14(11)21/h1-5H,6H2,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of N'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide?
N'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide has a molecular weight of 387.26 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide is sourced from PubChem (CID 86995752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).