4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide

C19H15F3N4O2 — CID 113048972

IUPAC4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cccc(C(F)(F)F)c3)nn2)cc1
InChIInChI=1S/C19H15F3N4O2/c1-28-15-7-5-12(6-8-15)18(27)24-17-10-9-16(25-26-17)23-14-4-2-3-13(11-14)19(20,21)22/h2-11H,1H3,(H,23,25)(H,24,26,27)
InChIKeyJWWMOZIKAHNGIJ-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.50
Rot. Bonds5

About 4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide

4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide (PubChem CID 113048972) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
PubChem CID113048972
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cccc(C(F)(F)F)c3)nn2)cc1
InChIInChI=1S/C19H15F3N4O2/c1-28-15-7-5-12(6-8-15)18(27)24-17-10-9-16(25-26-17)23-14-4-2-3-13(11-14)19(20,21)22/h2-11H,1H3,(H,23,25)(H,24,26,27)
InChIKeyJWWMOZIKAHNGIJ-UHFFFAOYSA-N
XLogP4.50
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113048977
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113047832
N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288
N-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109358939
N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109109734
N-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide
CID 113049064
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide
CID 113049591
5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 69054016
N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113050053
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide (CID 113048972) is 4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide is COc1ccc(C(=O)Nc2ccc(Nc3cccc(C(F)(F)F)c3)nn2)cc1.
What is the InChIKey of 4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide?
The InChIKey is JWWMOZIKAHNGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-28-15-7-5-12(6-8-15)18(27)24-17-10-9-16(25-26-17)23-14-4-2-3-13(11-14)19(20,21)22/h2-11H,1H3,(H,23,25)(H,24,26,27).
What are the key properties of 4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide?
4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide has a molecular weight of 388.35 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113048972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).