N-(3,4-difluorophenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

C18H12F3N3O2 — CID 42161917

IUPACN-(3,4-difluorophenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(=O)n(Cc2cccc(F)c2)n1
InChIInChI=1S/C18H12F3N3O2/c19-12-3-1-2-11(8-12)10-24-17(25)7-6-16(23-24)18(26)22-13-4-5-14(20)15(21)9-13/h1-9H,10H2,(H,22,26)
InChIKeyCVSWZIOWWXUAKB-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.96
Rot. Bonds4

About N-(3,4-difluorophenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

N-(3,4-difluorophenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 42161917) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID42161917
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC NameN-(3,4-difluorophenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(=O)n(Cc2cccc(F)c2)n1
InChIInChI=1S/C18H12F3N3O2/c19-12-3-1-2-11(8-12)10-24-17(25)7-6-16(23-24)18(26)22-13-4-5-14(20)15(21)9-13/h1-9H,10H2,(H,22,26)
InChIKeyCVSWZIOWWXUAKB-UHFFFAOYSA-N
XLogP2.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 709340
N-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 939768
4-(4-Dimethylamino-benzylidene)-2-(3-fluoro-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one
CID 5284927
4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]-1,4-dihydro-3-pyridazinecarboxamide
CID 1481283
3-(dimethylamino)propyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 16122938
N'-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-N-phenylpentanediamide
CID 25002935
3-(dimethylamino)propyl N-[3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 59849751
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
CID 70850904
6-oxo-N-(2-phenylphenyl)-1H-pyridazine-3-carboxamide
CID 4916029
6-oxo-N,1-diphenyl-4-(trifluoromethyl)-1,6-dihydro-3-pyridazinecarboxamide
CID 1489974
4-oxo-N-phenyl-4-[2-(3-phenyl-2-propen-1-ylidene)hydrazino]butanamide
CID 1679483
1-(3,4-difluorobenzyl)-6-oxo-N-phenyl-1,6-dihydro-3-pyridinecarboxamide
CID 2764861

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide (CID 42161917) is N-(3,4-difluorophenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1ccc(=O)n(Cc2cccc(F)c2)n1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is CVSWZIOWWXUAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c19-12-3-1-2-11(8-12)10-24-17(25)7-6-16(23-24)18(26)22-13-4-5-14(20)15(21)9-13/h1-9H,10H2,(H,22,26).
What are the key properties of N-(3,4-difluorophenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
N-(3,4-difluorophenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 359.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42161917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).