4-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide

C16H13F3N2O2 — CID 2113483

IUPAC4-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H13F3N2O2/c1-9-2-4-10(5-3-9)16(23)20-8-13(22)21-12-7-6-11(17)14(18)15(12)19/h2-7H,8H2,1H3,(H,20,23)(H,21,22)
InChIKeyGUJZHCWCGRURFY-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.78
Rot. Bonds4

About 4-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide

4-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide (PubChem CID 2113483) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 4-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
PubChem CID2113483
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name4-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H13F3N2O2/c1-9-2-4-10(5-3-9)16(23)20-8-13(22)21-12-7-6-11(17)14(18)15(12)19/h2-7H,8H2,1H3,(H,20,23)(H,21,22)
InChIKeyGUJZHCWCGRURFY-UHFFFAOYSA-N
XLogP2.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide (CID 2113483) is 4-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide is Cc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 4-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The InChIKey is GUJZHCWCGRURFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c1-9-2-4-10(5-3-9)16(23)20-8-13(22)21-12-7-6-11(17)14(18)15(12)19/h2-7H,8H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
4-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide has a molecular weight of 322.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide is sourced from PubChem (CID 2113483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).