N-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]benzamide

C20H15Cl2N3O3 — CID 73426986

IUPACN-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]benzamide
SMILESC=C(C)c1cc(Oc2c(Cl)cc(NC(=O)c3ccccc3)cc2Cl)n[nH]c1=O
InChIInChI=1S/C20H15Cl2N3O3/c1-11(2)14-10-17(24-25-20(14)27)28-18-15(21)8-13(9-16(18)22)23-19(26)12-6-4-3-5-7-12/h3-10H,1H2,2H3,(H,23,26)(H,25,27)
InChIKeyHHRCBRHNABBNAC-UHFFFAOYSA-N
MW416.26 g/mol
LogP5.15
Rot. Bonds5

About N-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]benzamide

N-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]benzamide (PubChem CID 73426986) has the molecular formula C20H15Cl2N3O3 and a molecular weight of 416.26 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]benzamide
PubChem CID73426986
Molecular FormulaC20H15Cl2N3O3
Molecular Weight416.26 g/mol
Exact Mass415.05
IUPAC NameN-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]benzamide
SMILESC=C(C)c1cc(Oc2c(Cl)cc(NC(=O)c3ccccc3)cc2Cl)n[nH]c1=O
InChIInChI=1S/C20H15Cl2N3O3/c1-11(2)14-10-17(24-25-20(14)27)28-18-15(21)8-13(9-16(18)22)23-19(26)12-6-4-3-5-7-12/h3-10H,1H2,2H3,(H,23,26)(H,25,27)
InChIKeyHHRCBRHNABBNAC-UHFFFAOYSA-N
XLogP5.15
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.26
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]benzamide with MolForge

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Related Compounds

3-[3,5-dichloro-4-[(6-oxo-5-phenyl-1H-pyridazin-3-yl)oxy]anilino]-3-oxopropanoic acid
CID 155296081
N-[4-[(4-benzyl-3-oxo-2H-pyridin-6-yl)oxy]-3,5-dichlorophenyl]benzamide
CID 163699685
N-[3-chloro-5-fluoro-4-[[5-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]acetamide
CID 156676738
N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetamide
CID 153374508
3-[3,5-dichloro-4-[(4-oxo-3H-phthalazin-1-yl)oxy]anilino]propanoic acid
CID 155296066
3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one
CID 141161888
N-(5-methyl-2-prop-1-en-2-ylphenyl)benzamide
CID 154709927
N-(4-oxo-3H-quinazolin-6-yl)benzamide
CID 174817735
N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide
CID 71579986
N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
CID 7900446
3,5-diacetamido-N-(3,4-dichlorophenyl)benzamide
CID 2524728
N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide
CID 142208930

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]benzamide?
The IUPAC name of N-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]benzamide (CID 73426986) is N-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]benzamide.
What is the SMILES notation for N-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]benzamide?
The canonical SMILES for N-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]benzamide is C=C(C)c1cc(Oc2c(Cl)cc(NC(=O)c3ccccc3)cc2Cl)n[nH]c1=O.
What is the InChIKey of N-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]benzamide?
The InChIKey is HHRCBRHNABBNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O3/c1-11(2)14-10-17(24-25-20(14)27)28-18-15(21)8-13(9-16(18)22)23-19(26)12-6-4-3-5-7-12/h3-10H,1H2,2H3,(H,23,26)(H,25,27).
What are the key properties of N-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]benzamide?
N-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]benzamide has a molecular weight of 416.26 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]benzamide is sourced from PubChem (CID 73426986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).