N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide

C19H16FN3O2 — CID 134801622

IUPACN-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3ccccc3F)cc2)nn1
InChIInChI=1S/C19H16FN3O2/c1-25-18-11-10-17(22-23-18)13-6-8-14(9-7-13)19(24)21-12-15-4-2-3-5-16(15)20/h2-11H,12H2,1H3,(H,21,24)
InChIKeyBDHOOKNZYRHLIT-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.22
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide

N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide (PubChem CID 134801622) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
PubChem CID134801622
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC NameN-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3ccccc3F)cc2)nn1
InChIInChI=1S/C19H16FN3O2/c1-25-18-11-10-17(22-23-18)13-6-8-14(9-7-13)19(24)21-12-15-4-2-3-5-16(15)20/h2-11H,12H2,1H3,(H,21,24)
InChIKeyBDHOOKNZYRHLIT-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide (CID 134801622) is N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide is COc1ccc(-c2ccc(C(=O)NCc3ccccc3F)cc2)nn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide?
The InChIKey is BDHOOKNZYRHLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-25-18-11-10-17(22-23-18)13-6-8-14(9-7-13)19(24)21-12-15-4-2-3-5-16(15)20/h2-11H,12H2,1H3,(H,21,24).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide?
N-[(2-fluorophenyl)methyl]-4-(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]-4-(6-methoxypyridazin-3-yl)benzamide is sourced from PubChem (CID 134801622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).