N-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide

C19H16ClN3O2 — CID 70703420

IUPACN-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide
SMILESCc1ccc(Oc2cccc(C(=O)NCc3ccccc3Cl)c2)nn1
InChIInChI=1S/C19H16ClN3O2/c1-13-9-10-18(23-22-13)25-16-7-4-6-14(11-16)19(24)21-12-15-5-2-3-8-17(15)20/h2-11H,12H2,1H3,(H,21,24)
InChIKeyJTFUKVGDRLSSEZ-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.16
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide

N-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide (PubChem CID 70703420) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide
PubChem CID70703420
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide
SMILESCc1ccc(Oc2cccc(C(=O)NCc3ccccc3Cl)c2)nn1
InChIInChI=1S/C19H16ClN3O2/c1-13-9-10-18(23-22-13)25-16-7-4-6-14(11-16)19(24)21-12-15-5-2-3-8-17(15)20/h2-11H,12H2,1H3,(H,21,24)
InChIKeyJTFUKVGDRLSSEZ-UHFFFAOYSA-N
XLogP4.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
CID 2971835
3-(2-amino-2-oxoethoxy)-N-[(2-chlorophenyl)methyl]benzamide
CID 35558245
N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide
CID 17194215
N-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108792460
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
2-chloro-N-[(2-chlorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378301
3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054733
[3-[[2-[(3,4-dichlorobenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108928561
N-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide
CID 9209764
N-[(2-chlorophenyl)methylcarbamothioyl]-3-ethoxybenzamide
CID 17194426

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide (CID 70703420) is N-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide is Cc1ccc(Oc2cccc(C(=O)NCc3ccccc3Cl)c2)nn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide?
The InChIKey is JTFUKVGDRLSSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-13-9-10-18(23-22-13)25-16-7-4-6-14(11-16)19(24)21-12-15-5-2-3-8-17(15)20/h2-11H,12H2,1H3,(H,21,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide?
N-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide has a molecular weight of 353.81 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide is sourced from PubChem (CID 70703420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).