N-[(2-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide

C19H16FN3O2 — CID 134800900

IUPACN-[(2-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NCc3ccccc3F)c2)nn1
InChIInChI=1S/C19H16FN3O2/c1-25-18-10-9-17(22-23-18)13-6-4-7-14(11-13)19(24)21-12-15-5-2-3-8-16(15)20/h2-11H,12H2,1H3,(H,21,24)
InChIKeyLUWRRINWSNHVFQ-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.22
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide

N-[(2-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide (PubChem CID 134800900) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide
PubChem CID134800900
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NCc3ccccc3F)c2)nn1
InChIInChI=1S/C19H16FN3O2/c1-25-18-10-9-17(22-23-18)13-6-4-7-14(11-13)19(24)21-12-15-5-2-3-8-16(15)20/h2-11H,12H2,1H3,(H,21,24)
InChIKeyLUWRRINWSNHVFQ-UHFFFAOYSA-N
XLogP3.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide
CID 18438700
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide
CID 155557555
N,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide
CID 6401687
3-(3,6-dimethoxypyridazin-4-yl)-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-phenylbutanoyl]amino]methyl]benzamide
CID 124189234
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 134800971
N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 134801622
N-[(4-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134802190
3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 134803949
1-(3-fluorobenzyl)-6-oxo-N-(2-((6-phenylpyridazin-3-yl)oxy)ethyl)-1,6-dihydropyridazine-3-carboxamide
CID 45498060
4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593565
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 7593608
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide
CID 7593643

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide (CID 134800900) is N-[(2-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide is COc1ccc(-c2cccc(C(=O)NCc3ccccc3F)c2)nn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide?
The InChIKey is LUWRRINWSNHVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-25-18-10-9-17(22-23-18)13-6-4-7-14(11-13)19(24)21-12-15-5-2-3-8-16(15)20/h2-11H,12H2,1H3,(H,21,24).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide?
N-[(2-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide has a molecular weight of 337.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide is sourced from PubChem (CID 134800900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).