2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide

C19H16F3N3O2 — CID 24740395

IUPAC2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
SMILESCc1c(F)c(F)cc(C(=O)Nc2ccc(C3=NNC(=O)CC3C)cc2)c1F
InChIInChI=1S/C19H16F3N3O2/c1-9-7-15(26)24-25-18(9)11-3-5-12(6-4-11)23-19(27)13-8-14(20)17(22)10(2)16(13)21/h3-6,8-9H,7H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyAIKJHPLRNLLWNL-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.52
Rot. Bonds3

About 2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide

2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide (PubChem CID 24740395) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
PubChem CID24740395
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
SMILESCc1c(F)c(F)cc(C(=O)Nc2ccc(C3=NNC(=O)CC3C)cc2)c1F
InChIInChI=1S/C19H16F3N3O2/c1-9-7-15(26)24-25-18(9)11-3-5-12(6-4-11)23-19(27)13-8-14(20)17(22)10(2)16(13)21/h3-6,8-9H,7H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyAIKJHPLRNLLWNL-UHFFFAOYSA-N
XLogP3.52
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-5-fluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 24740392
N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
CID 10562323
4-ethyl-2-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 142082469
N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 23647030
S-(4-fluorophenyl) N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioate
CID 54307860
2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 142082421
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]furan-2-carboxamide
CID 13228917
2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 22160509
3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 70599674
4-amino-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide
CID 19854552
N-[2-amino-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-fluorobenzamide
CID 20516904
4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-naphthalen-2-ylbenzamide
CID 20765693

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide (CID 24740395) is 2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide is Cc1c(F)c(F)cc(C(=O)Nc2ccc(C3=NNC(=O)CC3C)cc2)c1F.
What is the InChIKey of 2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
The InChIKey is AIKJHPLRNLLWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-9-7-15(26)24-25-18(9)11-3-5-12(6-4-11)23-19(27)13-8-14(20)17(22)10(2)16(13)21/h3-6,8-9H,7H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide has a molecular weight of 375.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 24740395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).