N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide

C15H8F3N3O3 — CID 110734426

IUPACN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide
SMILESO=C(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H8F3N3O3/c16-8-5-4-7(11(17)12(8)18)13(22)19-9-3-1-2-6-10(9)15(24)21-20-14(6)23/h1-5H,(H,19,22)(H,20,23)(H,21,24)
InChIKeyIPPLXPGFBBEKAN-UHFFFAOYSA-N
MW335.24 g/mol
LogP1.89
Rot. Bonds2

About N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide

N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide (PubChem CID 110734426) has the molecular formula C15H8F3N3O3 and a molecular weight of 335.24 g/mol. Its IUPAC name is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide
PubChem CID110734426
Molecular FormulaC15H8F3N3O3
Molecular Weight335.24 g/mol
Exact Mass335.05
IUPAC NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide
SMILESO=C(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H8F3N3O3/c16-8-5-4-7(11(17)12(8)18)13(22)19-9-3-1-2-6-10(9)15(24)21-20-14(6)23/h1-5H,(H,19,22)(H,20,23)(H,21,24)
InChIKeyIPPLXPGFBBEKAN-UHFFFAOYSA-N
XLogP1.89
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)furan-3-carboxamide
CID 106685230
2,3,4-trifluoro-N-quinolin-5-ylbenzamide
CID 110868233
2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 79749595
4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
CID 24709508
(1,4-dioxo-2,3-dihydrophthalazin-5-yl)carbamodithioic acid
CID 102281368
N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide
CID 28560277
4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide
CID 48735941
3-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrazole-5-carboxamide
CID 64524610
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide
CID 3993639
2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 79755148
5-(hydroxymethylamino)-2,3-dihydrophthalazine-1,4-dione
CID 11521306
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(methylamino)propanamide
CID 62639645

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide?
The IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide (CID 110734426) is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide?
The canonical SMILES for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide is O=C(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1ccc(F)c(F)c1F.
What is the InChIKey of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide?
The InChIKey is IPPLXPGFBBEKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3O3/c16-8-5-4-7(11(17)12(8)18)13(22)19-9-3-1-2-6-10(9)15(24)21-20-14(6)23/h1-5H,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide?
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide has a molecular weight of 335.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide is sourced from PubChem (CID 110734426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).