N-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide

C22H21BrN4O2 — CID 50815991

IUPACN-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
SMILESO=C(NCc1ccc(Br)cc1)c1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C22H21BrN4O2/c23-19-6-4-16(5-7-19)15-24-22(28)18-3-1-2-17(14-18)20-8-9-21(26-25-20)27-10-12-29-13-11-27/h1-9,14H,10-13,15H2,(H,24,28)
InChIKeyXTUFDMHKEVIAED-UHFFFAOYSA-N
MW453.34 g/mol
LogP3.67
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide

N-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide (PubChem CID 50815991) has the molecular formula C22H21BrN4O2 and a molecular weight of 453.34 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
PubChem CID50815991
Molecular FormulaC22H21BrN4O2
Molecular Weight453.34 g/mol
Exact Mass452.08
IUPAC NameN-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
SMILESO=C(NCc1ccc(Br)cc1)c1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C22H21BrN4O2/c23-19-6-4-16(5-7-19)15-24-22(28)18-3-1-2-17(14-18)20-8-9-21(26-25-20)27-10-12-29-13-11-27/h1-9,14H,10-13,15H2,(H,24,28)
InChIKeyXTUFDMHKEVIAED-UHFFFAOYSA-N
XLogP3.67
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-morpholin-4-ylpyridazin-3-yl)-N-(3-phenylpropyl)benzamide
CID 50816070
3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide
CID 50816215
N-[2-(cyclohexen-1-yl)ethyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 46375087
3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 110405123
N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815960
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
N-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 87468856
3,4-dichloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 41077699
6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 43038503
2-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 7422439
3-iodo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 95130808
4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422461

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide (CID 50815991) is N-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide is O=C(NCc1ccc(Br)cc1)c1cccc(-c2ccc(N3CCOCC3)nn2)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide?
The InChIKey is XTUFDMHKEVIAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN4O2/c23-19-6-4-16(5-7-19)15-24-22(28)18-3-1-2-17(14-18)20-8-9-21(26-25-20)27-10-12-29-13-11-27/h1-9,14H,10-13,15H2,(H,24,28).
What are the key properties of N-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide?
N-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide has a molecular weight of 453.34 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide is sourced from PubChem (CID 50815991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).