2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide

C16H12F3N3O4 — CID 51146120

IUPAC2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H12F3N3O4/c17-11-5-6-12(16(19)15(11)18)21-14(24)8-20-13(23)7-9-1-3-10(4-2-9)22(25)26/h1-6H,7-8H2,(H,20,23)(H,21,24)
InChIKeyFAQGVHZRGISEPE-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.31
Rot. Bonds6

About 2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide

2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide (PubChem CID 51146120) has the molecular formula C16H12F3N3O4 and a molecular weight of 367.28 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
PubChem CID51146120
Molecular FormulaC16H12F3N3O4
Molecular Weight367.28 g/mol
Exact Mass367.08
IUPAC Name2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H12F3N3O4/c17-11-5-6-12(16(19)15(11)18)21-14(24)8-20-13(23)7-9-1-3-10(4-2-9)22(25)26/h1-6H,7-8H2,(H,20,23)(H,21,24)
InChIKeyFAQGVHZRGISEPE-UHFFFAOYSA-N
XLogP2.31
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trifluoro-N-[(4-nitrophenyl)methyl]aniline
CID 28574355
2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 9345460
2-methyl-3-nitro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 7677590
2-(4-nitrophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26714074
3-(4-methylphenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 16574561
3,5-dinitro-N-(2,3,4-trifluorophenyl)benzamide
CID 9095279
2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 60594295
2-(3,4-difluorophenyl)-N-[2-(2-nitroanilino)-2-oxoethyl]acetamide
CID 84587040
2-(4-nitrophenyl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9163121
N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide
CID 51161641
2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8562673
N-(2-bromo-4-fluorophenyl)-2-(4-nitrophenyl)acetamide
CID 43246952

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide (CID 51146120) is 2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The InChIKey is FAQGVHZRGISEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O4/c17-11-5-6-12(16(19)15(11)18)21-14(24)8-20-13(23)7-9-1-3-10(4-2-9)22(25)26/h1-6H,7-8H2,(H,20,23)(H,21,24).
What are the key properties of 2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide has a molecular weight of 367.28 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide is sourced from PubChem (CID 51146120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).