N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide

C18H14F3N5O2 — CID 9360157

IUPACN-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H14F3N5O2/c1-25(8-15(27)24-14-7-6-13(19)16(20)17(14)21)18(28)11-2-4-12(5-3-11)26-10-22-9-23-26/h2-7,9-10H,8H2,1H3,(H,24,27)
InChIKeyFVFAETWDJMVNTD-UHFFFAOYSA-N
MW389.34 g/mol
LogP2.40
Rot. Bonds5

About N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide

N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 9360157) has the molecular formula C18H14F3N5O2 and a molecular weight of 389.34 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID9360157
Molecular FormulaC18H14F3N5O2
Molecular Weight389.34 g/mol
Exact Mass389.11
IUPAC NameN-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H14F3N5O2/c1-25(8-15(27)24-14-7-6-13(19)16(20)17(14)21)18(28)11-2-4-12(5-3-11)26-10-22-9-23-26/h2-7,9-10H,8H2,1H3,(H,24,27)
InChIKeyFVFAETWDJMVNTD-UHFFFAOYSA-N
XLogP2.40
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide (CID 9360157) is N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide is CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is FVFAETWDJMVNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O2/c1-25(8-15(27)24-14-7-6-13(19)16(20)17(14)21)18(28)11-2-4-12(5-3-11)26-10-22-9-23-26/h2-7,9-10H,8H2,1H3,(H,24,27).
What are the key properties of N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide?
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 389.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 9360157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).