1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethyl-N-(6-oxo-2,3-dihydro-1H-pyridazin-4-yl)pyrrolidine-2-carboxamide

C18H20F4N4O3 — CID 178057386

IUPAC1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethyl-N-(6-oxo-2,3-dihydro-1H-pyridazin-4-yl)pyrrolidine-2-carboxamide
SMILESCC1(C)CCN(c2ccc(F)c(F)c2OC(F)F)C1C(=O)NC1=CC(=O)NNC1
InChIInChI=1S/C18H20F4N4O3/c1-18(2)5-6-26(11-4-3-10(19)13(20)14(11)29-17(21)22)15(18)16(28)24-9-7-12(27)25-23-8-9/h3-4,7,15,17,23H,5-6,8H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyFZMJYWXELXMTAK-UHFFFAOYSA-N
MW416.38 g/mol
LogP1.81
Rot. Bonds5

About 1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethyl-N-(6-oxo-2,3-dihydro-1H-pyridazin-4-yl)pyrrolidine-2-carboxamide

1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethyl-N-(6-oxo-2,3-dihydro-1H-pyridazin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 178057386) has the molecular formula C18H20F4N4O3 and a molecular weight of 416.38 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethyl-N-(6-oxo-2,3-dihydro-1H-pyridazin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethyl-N-(6-oxo-2,3-dihydro-1H-pyridazin-4-yl)pyrrolidine-2-carboxamide
PubChem CID178057386
Molecular FormulaC18H20F4N4O3
Molecular Weight416.38 g/mol
Exact Mass416.15
IUPAC Name1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethyl-N-(6-oxo-2,3-dihydro-1H-pyridazin-4-yl)pyrrolidine-2-carboxamide
SMILESCC1(C)CCN(c2ccc(F)c(F)c2OC(F)F)C1C(=O)NC1=CC(=O)NNC1
InChIInChI=1S/C18H20F4N4O3/c1-18(2)5-6-26(11-4-3-10(19)13(20)14(11)29-17(21)22)15(18)16(28)24-9-7-12(27)25-23-8-9/h3-4,7,15,17,23H,5-6,8H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyFZMJYWXELXMTAK-UHFFFAOYSA-N
XLogP1.81
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.38
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethyl-N-(6-oxo-2,3-dihydro-1H-pyridazin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethyl-N-(6-oxo-2,3-dihydro-1H-pyridazin-4-yl)pyrrolidine-2-carboxamide (CID 178057386) is 1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethyl-N-(6-oxo-2,3-dihydro-1H-pyridazin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethyl-N-(6-oxo-2,3-dihydro-1H-pyridazin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethyl-N-(6-oxo-2,3-dihydro-1H-pyridazin-4-yl)pyrrolidine-2-carboxamide is CC1(C)CCN(c2ccc(F)c(F)c2OC(F)F)C1C(=O)NC1=CC(=O)NNC1.
What is the InChIKey of 1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethyl-N-(6-oxo-2,3-dihydro-1H-pyridazin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is FZMJYWXELXMTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F4N4O3/c1-18(2)5-6-26(11-4-3-10(19)13(20)14(11)29-17(21)22)15(18)16(28)24-9-7-12(27)25-23-8-9/h3-4,7,15,17,23H,5-6,8H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethyl-N-(6-oxo-2,3-dihydro-1H-pyridazin-4-yl)pyrrolidine-2-carboxamide?
1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethyl-N-(6-oxo-2,3-dihydro-1H-pyridazin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 416.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-3,4-difluorophenyl]-3,3-dimethyl-N-(6-oxo-2,3-dihydro-1H-pyridazin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 178057386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).