N-cyclopropyl-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide

C21H18FN3O3 — CID 53005592

IUPACN-cyclopropyl-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1
InChIInChI=1S/C21H18FN3O3/c22-16-3-1-2-14(12-16)13-28-19-10-11-20(26)25(24-19)18-8-4-15(5-9-18)21(27)23-17-6-7-17/h1-5,8-12,17H,6-7,13H2,(H,23,27)
InChIKeyHOMQONPKLRDZKG-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.84
Rot. Bonds6

About N-cyclopropyl-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide

N-cyclopropyl-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide (PubChem CID 53005592) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is N-cyclopropyl-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide
PubChem CID53005592
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC NameN-cyclopropyl-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1
InChIInChI=1S/C21H18FN3O3/c22-16-3-1-2-14(12-16)13-28-19-10-11-20(26)25(24-19)18-8-4-15(5-9-18)21(27)23-17-6-7-17/h1-5,8-12,17H,6-7,13H2,(H,23,27)
InChIKeyHOMQONPKLRDZKG-UHFFFAOYSA-N
XLogP2.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide (CID 53005592) is N-cyclopropyl-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide is O=C(NC1CC1)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1.
What is the InChIKey of N-cyclopropyl-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide?
The InChIKey is HOMQONPKLRDZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c22-16-3-1-2-14(12-16)13-28-19-10-11-20(26)25(24-19)18-8-4-15(5-9-18)21(27)23-17-6-7-17/h1-5,8-12,17H,6-7,13H2,(H,23,27).
What are the key properties of N-cyclopropyl-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide?
N-cyclopropyl-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide has a molecular weight of 379.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide is sourced from PubChem (CID 53005592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).