methyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate

C19H15F2N3O3 — CID 118729329

IUPACmethyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(Cn2nc(-c3cc(F)cc(F)c3)ccc2=O)c1
InChIInChI=1S/C19H15F2N3O3/c1-27-19(26)22-16-4-2-3-12(7-16)11-24-18(25)6-5-17(23-24)13-8-14(20)10-15(21)9-13/h2-10H,11H2,1H3,(H,22,26)
InChIKeyOHNLONIUYBNNFP-UHFFFAOYSA-N
MW371.34 g/mol
LogP3.42
Rot. Bonds4

About methyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate

methyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate (PubChem CID 118729329) has the molecular formula C19H15F2N3O3 and a molecular weight of 371.34 g/mol. Its IUPAC name is methyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
PubChem CID118729329
Molecular FormulaC19H15F2N3O3
Molecular Weight371.34 g/mol
Exact Mass371.11
IUPAC Namemethyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(Cn2nc(-c3cc(F)cc(F)c3)ccc2=O)c1
InChIInChI=1S/C19H15F2N3O3/c1-27-19(26)22-16-4-2-3-12(7-16)11-24-18(25)6-5-17(23-24)13-8-14(20)10-15(21)9-13/h2-10H,11H2,1H3,(H,22,26)
InChIKeyOHNLONIUYBNNFP-UHFFFAOYSA-N
XLogP3.42
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate with MolForge

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Related Compounds

3-(dimethylamino)propyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 16122938
3-(dimethylamino)propyl N-[3-[[5-(3,5-difluorophenyl)-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]phenyl]carbamate
CID 16734411
3-(dimethylamino)propyl N-[3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 59849751
3-morpholin-4-ylpropyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 59849760
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
CID 70850904
4-(dimethylamino)butyl N-[3-[[3-(3-methylanilino)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 71516423
4-(dimethylamino)butyl N-[3-[[3-(3-fluoroanilino)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 71515638
4-(dimethylamino)butyl N-[3-[[3-(4-fluoroanilino)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 71515639
4-(dimethylamino)butyl N-[3-[[3-(3,5-difluoroanilino)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 71515705
4-(dimethylamino)butyl N-[3-[(3-anilino-6-oxopyridazin-1-yl)methyl]phenyl]carbamate
CID 71516421
4-(dimethylamino)butyl N-[3-[[6-oxo-3-[3-(trifluoromethyl)anilino]pyridazin-1-yl]methyl]phenyl]carbamate
CID 71516496
ethyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 118729330

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate (CID 118729329) is methyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate is COC(=O)Nc1cccc(Cn2nc(-c3cc(F)cc(F)c3)ccc2=O)c1.
What is the InChIKey of methyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate?
The InChIKey is OHNLONIUYBNNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3/c1-27-19(26)22-16-4-2-3-12(7-16)11-24-18(25)6-5-17(23-24)13-8-14(20)10-15(21)9-13/h2-10H,11H2,1H3,(H,22,26).
What are the key properties of methyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate?
methyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate has a molecular weight of 371.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate is sourced from PubChem (CID 118729329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).