N-[3-[4-[(4-chloro-3-fluorophenyl)methyl]-6-methyl-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide

C19H16ClFN4O3 — CID 25106901

IUPACN-[3-[4-[(4-chloro-3-fluorophenyl)methyl]-6-methyl-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nc(C)c(=O)n(Cc3ccc(Cl)c(F)c3)c2=O)c1
InChIInChI=1S/C19H16ClFN4O3/c1-11-18(27)24(10-13-6-7-16(20)17(21)8-13)19(28)25(23-11)15-5-3-4-14(9-15)22-12(2)26/h3-9H,10H2,1-2H3,(H,22,26)
InChIKeyMTACWINEBULFRF-UHFFFAOYSA-N
MW402.81 g/mol
LogP2.50
Rot. Bonds4

About N-[3-[4-[(4-chloro-3-fluorophenyl)methyl]-6-methyl-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide

N-[3-[4-[(4-chloro-3-fluorophenyl)methyl]-6-methyl-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide (PubChem CID 25106901) has the molecular formula C19H16ClFN4O3 and a molecular weight of 402.81 g/mol. Its IUPAC name is N-[3-[4-[(4-chloro-3-fluorophenyl)methyl]-6-methyl-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[(4-chloro-3-fluorophenyl)methyl]-6-methyl-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
PubChem CID25106901
Molecular FormulaC19H16ClFN4O3
Molecular Weight402.81 g/mol
Exact Mass402.09
IUPAC NameN-[3-[4-[(4-chloro-3-fluorophenyl)methyl]-6-methyl-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nc(C)c(=O)n(Cc3ccc(Cl)c(F)c3)c2=O)c1
InChIInChI=1S/C19H16ClFN4O3/c1-11-18(27)24(10-13-6-7-16(20)17(21)8-13)19(28)25(23-11)15-5-3-4-14(9-15)22-12(2)26/h3-9H,10H2,1-2H3,(H,22,26)
InChIKeyMTACWINEBULFRF-UHFFFAOYSA-N
XLogP2.50
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.81
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[4-[(4-chloro-3-fluorophenyl)methyl]-6-methyl-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide 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-[3-[4-[(4-chloro-3-fluorophenyl)methyl]-6-methyl-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[(4-chloro-3-fluorophenyl)methyl]-6-methyl-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide (CID 25106901) is N-[3-[4-[(4-chloro-3-fluorophenyl)methyl]-6-methyl-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[(4-chloro-3-fluorophenyl)methyl]-6-methyl-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[(4-chloro-3-fluorophenyl)methyl]-6-methyl-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-n2nc(C)c(=O)n(Cc3ccc(Cl)c(F)c3)c2=O)c1.
What is the InChIKey of N-[3-[4-[(4-chloro-3-fluorophenyl)methyl]-6-methyl-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
The InChIKey is MTACWINEBULFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O3/c1-11-18(27)24(10-13-6-7-16(20)17(21)8-13)19(28)25(23-11)15-5-3-4-14(9-15)22-12(2)26/h3-9H,10H2,1-2H3,(H,22,26).
What are the key properties of N-[3-[4-[(4-chloro-3-fluorophenyl)methyl]-6-methyl-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide?
N-[3-[4-[(4-chloro-3-fluorophenyl)methyl]-6-methyl-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide has a molecular weight of 402.81 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(4-chloro-3-fluorophenyl)methyl]-6-methyl-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 25106901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).