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

C18H14Cl2FN3O2 — CID 24740392

IUPAC2,4-dichloro-5-fluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1
InChIInChI=1S/C18H14Cl2FN3O2/c1-9-6-16(25)23-24-17(9)10-2-4-11(5-3-10)22-18(26)12-7-15(21)14(20)8-13(12)19/h2-5,7-9H,6H2,1H3,(H,22,26)(H,23,25)
InChIKeyIYTAYKHBEADEMX-UHFFFAOYSA-N
MW394.23 g/mol
LogP4.24
Rot. Bonds3

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

2,4-dichloro-5-fluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide (PubChem CID 24740392) has the molecular formula C18H14Cl2FN3O2 and a molecular weight of 394.23 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
PubChem CID24740392
Molecular FormulaC18H14Cl2FN3O2
Molecular Weight394.23 g/mol
Exact Mass393.04
IUPAC Name2,4-dichloro-5-fluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1
InChIInChI=1S/C18H14Cl2FN3O2/c1-9-6-16(25)23-24-17(9)10-2-4-11(5-3-10)22-18(26)12-7-15(21)14(20)8-13(12)19/h2-5,7-9H,6H2,1H3,(H,22,26)(H,23,25)
InChIKeyIYTAYKHBEADEMX-UHFFFAOYSA-N
XLogP4.24
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 54.24
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

2,4,5-trifluoro-3-methyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
CID 24740395
N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 23647030
2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
CID 12807338
4-amino-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide
CID 19854552
3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 70599674
3-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 171678971
2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
CID 13193381
(4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 71576736
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283
cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
CID 12805020
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437
4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-pyridin-3-ylbenzamide
CID 20765694

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide (CID 24740392) is 2,4-dichloro-5-fluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide is CC1CC(=O)NN=C1c1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
The InChIKey is IYTAYKHBEADEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN3O2/c1-9-6-16(25)23-24-17(9)10-2-4-11(5-3-10)22-18(26)12-7-15(21)14(20)8-13(12)19/h2-5,7-9H,6H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 2,4-dichloro-5-fluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
2,4-dichloro-5-fluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide has a molecular weight of 394.23 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 24740392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).