2-chloro-6-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide

C18H13ClFN3O2 — CID 41247404

IUPAC2-chloro-6-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide
SMILESCn1nc(-c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)ccc1=O
InChIInChI=1S/C18H13ClFN3O2/c1-23-16(24)10-9-15(22-23)11-5-7-12(8-6-11)21-18(25)17-13(19)3-2-4-14(17)20/h2-10H,1H3,(H,21,25)
InChIKeyUQCLYJKQTRFXEJ-UHFFFAOYSA-N
MW357.77 g/mol
LogP3.49
Rot. Bonds3

About 2-chloro-6-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide

2-chloro-6-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide (PubChem CID 41247404) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide
PubChem CID41247404
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC Name2-chloro-6-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide
SMILESCn1nc(-c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)ccc1=O
InChIInChI=1S/C18H13ClFN3O2/c1-23-16(24)10-9-15(22-23)11-5-7-12(8-6-11)21-18(25)17-13(19)3-2-4-14(17)20/h2-10H,1H3,(H,21,25)
InChIKeyUQCLYJKQTRFXEJ-UHFFFAOYSA-N
XLogP3.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide
CID 41247394
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide
CID 8502204
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
4-(dimethylamino)-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide
CID 41247489
2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide
CID 49170067
2-chloro-6-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 110724904
N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide
CID 112980490
N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide
CID 18588488
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide
CID 51228899
2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide
CID 2742954

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide (CID 41247404) is 2-chloro-6-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide is Cn1nc(-c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)ccc1=O.
What is the InChIKey of 2-chloro-6-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide?
The InChIKey is UQCLYJKQTRFXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c1-23-16(24)10-9-15(22-23)11-5-7-12(8-6-11)21-18(25)17-13(19)3-2-4-14(17)20/h2-10H,1H3,(H,21,25).
What are the key properties of 2-chloro-6-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide?
2-chloro-6-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide has a molecular weight of 357.77 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 41247404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).