N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide

C24H19N3O3 — CID 49035148

IUPACN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H19N3O3/c28-23-14-13-22(26-27-23)19-7-4-8-20(15-19)25-24(29)18-9-11-21(12-10-18)30-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,25,29)(H,27,28)
InChIKeyLQIKLAKXFVIAJS-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.27
Rot. Bonds6

About N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide

N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide (PubChem CID 49035148) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide
PubChem CID49035148
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC NameN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H19N3O3/c28-23-14-13-22(26-27-23)19-7-4-8-20(15-19)25-24(29)18-9-11-21(12-10-18)30-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,25,29)(H,27,28)
InChIKeyLQIKLAKXFVIAJS-UHFFFAOYSA-N
XLogP4.27
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035283
ethyl [4-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenyl] carbonate
CID 108769827
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 49033817
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 78779054
methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate
CID 49033446
3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49034784
3-(3-methoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856863
N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide
CID 167918564
N-[(3-benzamidophenyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 17113536
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide?
The IUPAC name of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide (CID 49035148) is N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide is O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide?
The InChIKey is LQIKLAKXFVIAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c28-23-14-13-22(26-27-23)19-7-4-8-20(15-19)25-24(29)18-9-11-21(12-10-18)30-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,25,29)(H,27,28).
What are the key properties of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide?
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide has a molecular weight of 397.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 49035148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).