3-bromo-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide

C18H15BrN4O — CID 56699999

IUPAC3-bromo-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3cccc(Br)c3)cc2)nn1
InChIInChI=1S/C18H15BrN4O/c1-12-5-10-17(23-22-12)20-15-6-8-16(9-7-15)21-18(24)13-3-2-4-14(19)11-13/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyBMKWXTOUZXMZSO-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.54
Rot. Bonds4

About 3-bromo-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide

3-bromo-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide (PubChem CID 56699999) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 3-bromo-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide
PubChem CID56699999
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name3-bromo-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3cccc(Br)c3)cc2)nn1
InChIInChI=1S/C18H15BrN4O/c1-12-5-10-17(23-22-12)20-15-6-8-16(9-7-15)21-18(24)13-3-2-4-14(19)11-13/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyBMKWXTOUZXMZSO-UHFFFAOYSA-N
XLogP4.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]benzamide
CID 108765874
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
3-bromo-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 122296946
3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019497
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide
CID 113044253
4-[(3-bromobenzoyl)amino]benzoate
CID 6943789
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide
CID 113019395
N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]-2,2-diphenylacetamide
CID 70702563
ethyl 2-[[2-[4-[(3-bromobenzoyl)amino]anilino]-6-methylpyrimidin-4-yl]amino]acetate
CID 146000825
N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126897

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide (CID 56699999) is 3-bromo-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide is Cc1ccc(Nc2ccc(NC(=O)c3cccc(Br)c3)cc2)nn1.
What is the InChIKey of 3-bromo-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide?
The InChIKey is BMKWXTOUZXMZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-12-5-10-17(23-22-12)20-15-6-8-16(9-7-15)21-18(24)13-3-2-4-14(19)11-13/h2-11H,1H3,(H,20,23)(H,21,24).
What are the key properties of 3-bromo-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide?
3-bromo-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide has a molecular weight of 383.25 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]benzamide is sourced from PubChem (CID 56699999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).