3-bromo-4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzamide

C18H13BrClN3O3 — CID 18440040

IUPAC3-bromo-4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2cc(Cc3ccc(=O)[nH]n3)ccc2Cl)c(Br)c1
InChIInChI=1S/C18H13BrClN3O3/c19-13-9-11(18(21)25)2-5-15(13)26-16-8-10(1-4-14(16)20)7-12-3-6-17(24)23-22-12/h1-6,8-9H,7H2,(H2,21,25)(H,23,24)
InChIKeyPTVKFHAESSQECF-UHFFFAOYSA-N
MW434.68 g/mol
LogP3.67
Rot. Bonds5

About 3-bromo-4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzamide

3-bromo-4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzamide (PubChem CID 18440040) has the molecular formula C18H13BrClN3O3 and a molecular weight of 434.68 g/mol. Its IUPAC name is 3-bromo-4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzamide.

Molecular Properties

Compound Name3-bromo-4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzamide
PubChem CID18440040
Molecular FormulaC18H13BrClN3O3
Molecular Weight434.68 g/mol
Exact Mass432.98
IUPAC Name3-bromo-4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2cc(Cc3ccc(=O)[nH]n3)ccc2Cl)c(Br)c1
InChIInChI=1S/C18H13BrClN3O3/c19-13-9-11(18(21)25)2-5-15(13)26-16-8-10(1-4-14(16)20)7-12-3-6-17(24)23-22-12/h1-6,8-9H,7H2,(H2,21,25)(H,23,24)
InChIKeyPTVKFHAESSQECF-UHFFFAOYSA-N
XLogP3.67
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.68
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-chloro-3-(2,4-dichlorophenoxy)phenyl]methyl]-1H-pyridazin-6-one
CID 18440207
4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-3-methylbenzonitrile
CID 18440063
3-[[4-chloro-3-(2-nitrophenoxy)phenyl]methyl]-1H-pyridazin-6-one
CID 18440217
3-[(4-chloro-3-pentan-3-yloxyphenyl)methyl]-1H-pyridazin-6-one
CID 18440206
3-[(3-butoxy-4-chlorophenyl)methyl]-1H-pyridazin-6-one
CID 18440182
3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 82786342
3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one
CID 10926721
3-[2-bromo-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzonitrile
CID 18439986
3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide
CID 82804888
3-[[5-(2,6-dichloro-4-methylbenzoyl)-2-methoxyphenyl]methyl]-1H-pyridazin-6-one
CID 70137016
3-amino-4-(4-bromo-2-chlorophenoxy)benzamide
CID 43448570
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzamide
CID 91683401

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzamide?
The IUPAC name of 3-bromo-4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzamide (CID 18440040) is 3-bromo-4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzamide.
What is the SMILES notation for 3-bromo-4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzamide?
The canonical SMILES for 3-bromo-4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzamide is NC(=O)c1ccc(Oc2cc(Cc3ccc(=O)[nH]n3)ccc2Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzamide?
The InChIKey is PTVKFHAESSQECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClN3O3/c19-13-9-11(18(21)25)2-5-15(13)26-16-8-10(1-4-14(16)20)7-12-3-6-17(24)23-22-12/h1-6,8-9H,7H2,(H2,21,25)(H,23,24).
What are the key properties of 3-bromo-4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzamide?
3-bromo-4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzamide has a molecular weight of 434.68 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[2-chloro-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzamide is sourced from PubChem (CID 18440040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).