3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide

C18H13F3N4O2 — CID 113051480

IUPAC3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3ccc(F)c(F)c3F)nn2)c1
InChIInChI=1S/C18H13F3N4O2/c1-27-11-4-2-3-10(9-11)18(26)23-15-8-7-14(24-25-15)22-13-6-5-12(19)16(20)17(13)21/h2-9H,1H3,(H,22,24)(H,23,25,26)
InChIKeyQXFVTWKGHMQQPZ-UHFFFAOYSA-N
MW374.32 g/mol
LogP3.90
Rot. Bonds5

About 3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide

3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide (PubChem CID 113051480) has the molecular formula C18H13F3N4O2 and a molecular weight of 374.32 g/mol. Its IUPAC name is 3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
PubChem CID113051480
Molecular FormulaC18H13F3N4O2
Molecular Weight374.32 g/mol
Exact Mass374.10
IUPAC Name3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3ccc(F)c(F)c3F)nn2)c1
InChIInChI=1S/C18H13F3N4O2/c1-27-11-4-2-3-10(9-11)18(26)23-15-8-7-14(24-25-15)22-13-6-5-12(19)16(20)17(13)21/h2-9H,1H3,(H,22,24)(H,23,25,26)
InChIKeyQXFVTWKGHMQQPZ-UHFFFAOYSA-N
XLogP3.90
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113047158
3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037429
3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045604
N-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046648
4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
CID 113051478
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046357
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide
CID 113041613
4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037430
2-fluoro-5-[(3-methoxybenzoyl)amino]benzamide
CID 39215128
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113047986
3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113040884
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113033566

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide?
The IUPAC name of 3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide (CID 113051480) is 3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide is COc1cccc(C(=O)Nc2ccc(Nc3ccc(F)c(F)c3F)nn2)c1.
What is the InChIKey of 3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide?
The InChIKey is QXFVTWKGHMQQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2/c1-27-11-4-2-3-10(9-11)18(26)23-15-8-7-14(24-25-15)22-13-6-5-12(19)16(20)17(13)21/h2-9H,1H3,(H,22,24)(H,23,25,26).
What are the key properties of 3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide?
3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide has a molecular weight of 374.32 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113051480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).