N-[6-[4-[4-[5-benzamido-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]phenoxy]benzoyl]-3-oxo-2-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]benzamide

C50H30F6N6O7 — CID 139230140

IUPACN-[6-[4-[4-[5-benzamido-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]phenoxy]benzoyl]-3-oxo-2-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]benzamide
SMILESO=C(Nc1cc(C(=O)c2ccc(Oc3ccc(C(=O)c4cc(NC(=O)c5ccccc5)c(=O)n(-c5ccc(C(F)(F)F)cc5)n4)cc3)cc2)nn(-c2ccc(C(F)(F)F)cc2)c1=O)c1ccccc1
InChIInChI=1S/C50H30F6N6O7/c51-49(52,53)33-15-19-35(20-16-33)61-47(67)41(57-45(65)31-7-3-1-4-8-31)27-39(59-61)43(63)29-11-23-37(24-12-29)69-38-25-13-30(14-26-38)44(64)40-28-42(58-46(66)32-9-5-2-6-10-32)48(68)62(60-40)36-21-17-34(18-22-36)50(54,55)56/h1-28H,(H,57,65)(H,58,66)
InChIKeyZHPXNJPLSWXTHS-UHFFFAOYSA-N
MW940.81 g/mol
LogP9.57
Rot. Bonds12

About N-[6-[4-[4-[5-benzamido-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]phenoxy]benzoyl]-3-oxo-2-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]benzamide

N-[6-[4-[4-[5-benzamido-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]phenoxy]benzoyl]-3-oxo-2-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]benzamide (PubChem CID 139230140) has the molecular formula C50H30F6N6O7 and a molecular weight of 940.81 g/mol. Its IUPAC name is N-[6-[4-[4-[5-benzamido-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]phenoxy]benzoyl]-3-oxo-2-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]benzamide.

Molecular Properties

Compound NameN-[6-[4-[4-[5-benzamido-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]phenoxy]benzoyl]-3-oxo-2-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]benzamide
PubChem CID139230140
Molecular FormulaC50H30F6N6O7
Molecular Weight940.81 g/mol
Exact Mass940.21
IUPAC NameN-[6-[4-[4-[5-benzamido-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]phenoxy]benzoyl]-3-oxo-2-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]benzamide
SMILESO=C(Nc1cc(C(=O)c2ccc(Oc3ccc(C(=O)c4cc(NC(=O)c5ccccc5)c(=O)n(-c5ccc(C(F)(F)F)cc5)n4)cc3)cc2)nn(-c2ccc(C(F)(F)F)cc2)c1=O)c1ccccc1
InChIInChI=1S/C50H30F6N6O7/c51-49(52,53)33-15-19-35(20-16-33)61-47(67)41(57-45(65)31-7-3-1-4-8-31)27-39(59-61)43(63)29-11-23-37(24-12-29)69-38-25-13-30(14-26-38)44(64)40-28-42(58-46(66)32-9-5-2-6-10-32)48(68)62(60-40)36-21-17-34(18-22-36)50(54,55)56/h1-28H,(H,57,65)(H,58,66)
InChIKeyZHPXNJPLSWXTHS-UHFFFAOYSA-N
XLogP9.57
TPSA171.35 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500940.81
LogP ≤ 59.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[6-[4-[4-[5-benzamido-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]phenoxy]benzoyl]-3-oxo-2-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]benzamide with MolForge

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Related Compounds

N-[6-benzoyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]acetamide
CID 632426
2-benzamido-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 67342854
4-phenoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 16651583
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide
CID 3372740
4-(3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]benzamide
CID 55794847
CID 161391832
CID 161391832
N-methyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 146305988
4-(4-oxoquinazolin-3-yl)-N-(2-phenoxyphenyl)benzamide
CID 39954363
ethyl 3-(4-methylphenyl)-4-oxo-5-[[4-(trifluoromethyl)benzoyl]amino]thieno[3,4-d]pyridazine-1-carboxylate
CID 4641021
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 43074055
4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 610570
N-(2-fluorophenyl)-4-phenoxybenzamide
CID 7915018

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[4-[5-benzamido-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]phenoxy]benzoyl]-3-oxo-2-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]benzamide?
The IUPAC name of N-[6-[4-[4-[5-benzamido-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]phenoxy]benzoyl]-3-oxo-2-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]benzamide (CID 139230140) is N-[6-[4-[4-[5-benzamido-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]phenoxy]benzoyl]-3-oxo-2-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]benzamide.
What is the SMILES notation for N-[6-[4-[4-[5-benzamido-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]phenoxy]benzoyl]-3-oxo-2-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]benzamide?
The canonical SMILES for N-[6-[4-[4-[5-benzamido-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]phenoxy]benzoyl]-3-oxo-2-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]benzamide is O=C(Nc1cc(C(=O)c2ccc(Oc3ccc(C(=O)c4cc(NC(=O)c5ccccc5)c(=O)n(-c5ccc(C(F)(F)F)cc5)n4)cc3)cc2)nn(-c2ccc(C(F)(F)F)cc2)c1=O)c1ccccc1.
What is the InChIKey of N-[6-[4-[4-[5-benzamido-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]phenoxy]benzoyl]-3-oxo-2-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]benzamide?
The InChIKey is ZHPXNJPLSWXTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30F6N6O7/c51-49(52,53)33-15-19-35(20-16-33)61-47(67)41(57-45(65)31-7-3-1-4-8-31)27-39(59-61)43(63)29-11-23-37(24-12-29)69-38-25-13-30(14-26-38)44(64)40-28-42(58-46(66)32-9-5-2-6-10-32)48(68)62(60-40)36-21-17-34(18-22-36)50(54,55)56/h1-28H,(H,57,65)(H,58,66).
What are the key properties of N-[6-[4-[4-[5-benzamido-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]phenoxy]benzoyl]-3-oxo-2-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]benzamide?
N-[6-[4-[4-[5-benzamido-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]phenoxy]benzoyl]-3-oxo-2-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]benzamide has a molecular weight of 940.81 g/mol, XLogP of 9.57, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[4-[5-benzamido-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]phenoxy]benzoyl]-3-oxo-2-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]benzamide is sourced from PubChem (CID 139230140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).