2-fluoro-4-(4-methylphenyl)-N-[(6-methylpyridazin-3-yl)methyl]benzamide

C20H18FN3O — CID 166373491

IUPAC2-fluoro-4-(4-methylphenyl)-N-[(6-methylpyridazin-3-yl)methyl]benzamide
SMILESCc1ccc(-c2ccc(C(=O)NCc3ccc(C)nn3)c(F)c2)cc1
InChIInChI=1S/C20H18FN3O/c1-13-3-6-15(7-4-13)16-8-10-18(19(21)11-16)20(25)22-12-17-9-5-14(2)23-24-17/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyILJGWCUMSVEIKQ-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.83
Rot. Bonds4

About 2-fluoro-4-(4-methylphenyl)-N-[(6-methylpyridazin-3-yl)methyl]benzamide

2-fluoro-4-(4-methylphenyl)-N-[(6-methylpyridazin-3-yl)methyl]benzamide (PubChem CID 166373491) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-fluoro-4-(4-methylphenyl)-N-[(6-methylpyridazin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-(4-methylphenyl)-N-[(6-methylpyridazin-3-yl)methyl]benzamide
PubChem CID166373491
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name2-fluoro-4-(4-methylphenyl)-N-[(6-methylpyridazin-3-yl)methyl]benzamide
SMILESCc1ccc(-c2ccc(C(=O)NCc3ccc(C)nn3)c(F)c2)cc1
InChIInChI=1S/C20H18FN3O/c1-13-3-6-15(7-4-13)16-8-10-18(19(21)11-16)20(25)22-12-17-9-5-14(2)23-24-17/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyILJGWCUMSVEIKQ-UHFFFAOYSA-N
XLogP3.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[3-(methylamino)propyl]-4-(4-methylphenyl)benzamide;hydrochloride
CID 119429870
6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid
CID 119220141
N-[(6-methylpyridazin-3-yl)methyl]acetamide
CID 110737862
2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide
CID 111486212
N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide
CID 103731815
2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263261
(E)-1-[2-amino-5-(4-fluorophenyl)phenyl]-N-[(6-methylpyridazin-3-yl)methyl]ethene-1,2-diamine
CID 167090440
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
CID 79791419
2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide
CID 79795606
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride
CID 119521671
2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 79777537
N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide
CID 107233356

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methylphenyl)-N-[(6-methylpyridazin-3-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-4-(4-methylphenyl)-N-[(6-methylpyridazin-3-yl)methyl]benzamide (CID 166373491) is 2-fluoro-4-(4-methylphenyl)-N-[(6-methylpyridazin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-4-(4-methylphenyl)-N-[(6-methylpyridazin-3-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-4-(4-methylphenyl)-N-[(6-methylpyridazin-3-yl)methyl]benzamide is Cc1ccc(-c2ccc(C(=O)NCc3ccc(C)nn3)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-(4-methylphenyl)-N-[(6-methylpyridazin-3-yl)methyl]benzamide?
The InChIKey is ILJGWCUMSVEIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-13-3-6-15(7-4-13)16-8-10-18(19(21)11-16)20(25)22-12-17-9-5-14(2)23-24-17/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of 2-fluoro-4-(4-methylphenyl)-N-[(6-methylpyridazin-3-yl)methyl]benzamide?
2-fluoro-4-(4-methylphenyl)-N-[(6-methylpyridazin-3-yl)methyl]benzamide has a molecular weight of 335.38 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methylphenyl)-N-[(6-methylpyridazin-3-yl)methyl]benzamide is sourced from PubChem (CID 166373491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).