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

C13H12ClN3O2 — CID 101265418

IUPACN-[(3-chloro-6-methoxypyridazin-4-yl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccccc2)c(Cl)nn1
InChIInChI=1S/C13H12ClN3O2/c1-19-11-7-10(12(14)17-16-11)8-15-13(18)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,15,18)
InChIKeyJPSBANUEKYCUBV-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.07
Rot. Bonds4

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

N-[(3-chloro-6-methoxypyridazin-4-yl)methyl]benzamide (PubChem CID 101265418) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is N-[(3-chloro-6-methoxypyridazin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3-chloro-6-methoxypyridazin-4-yl)methyl]benzamide
PubChem CID101265418
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC NameN-[(3-chloro-6-methoxypyridazin-4-yl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccccc2)c(Cl)nn1
InChIInChI=1S/C13H12ClN3O2/c1-19-11-7-10(12(14)17-16-11)8-15-13(18)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,15,18)
InChIKeyJPSBANUEKYCUBV-UHFFFAOYSA-N
XLogP2.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-[(2-chloro-3-pyridinyl)methyl]benzamide
CID 90812537
N-[[5-(benzamidomethyl)-2,4-dimethylphenyl]methyl]benzamide
CID 154149793
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802436
N-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide
CID 70703420
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]benzamide
CID 13114245
N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2-carboxamide
CID 110851400
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
CID 24589971
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109170766

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-6-methoxypyridazin-4-yl)methyl]benzamide?
The IUPAC name of N-[(3-chloro-6-methoxypyridazin-4-yl)methyl]benzamide (CID 101265418) is N-[(3-chloro-6-methoxypyridazin-4-yl)methyl]benzamide.
What is the SMILES notation for N-[(3-chloro-6-methoxypyridazin-4-yl)methyl]benzamide?
The canonical SMILES for N-[(3-chloro-6-methoxypyridazin-4-yl)methyl]benzamide is COc1cc(CNC(=O)c2ccccc2)c(Cl)nn1.
What is the InChIKey of N-[(3-chloro-6-methoxypyridazin-4-yl)methyl]benzamide?
The InChIKey is JPSBANUEKYCUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-19-11-7-10(12(14)17-16-11)8-15-13(18)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,15,18).
What are the key properties of N-[(3-chloro-6-methoxypyridazin-4-yl)methyl]benzamide?
N-[(3-chloro-6-methoxypyridazin-4-yl)methyl]benzamide has a molecular weight of 277.71 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-6-methoxypyridazin-4-yl)methyl]benzamide is sourced from PubChem (CID 101265418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).