N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-oxadiazolidine-4-carboxamide

C16H12Cl2FN5O6 — CID 175115425

IUPACN-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-oxadiazolidine-4-carboxamide
SMILESCC(C)c1cc(Oc2c(Cl)cc(NC(=O)n3c(=O)[nH]oc3=O)c(F)c2Cl)n[nH]c1=O
InChIInChI=1S/C16H12Cl2FN5O6/c1-5(2)6-3-9(21-22-13(6)25)29-12-7(17)4-8(11(19)10(12)18)20-14(26)24-15(27)23-30-16(24)28/h3-5H,1-2H3,(H,20,26)(H,22,25)(H,23,27)
InChIKeyBCBPFAUWYVKVEV-UHFFFAOYSA-N
MW460.21 g/mol
LogP2.65
Rot. Bonds4

About N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-oxadiazolidine-4-carboxamide

N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-oxadiazolidine-4-carboxamide (PubChem CID 175115425) has the molecular formula C16H12Cl2FN5O6 and a molecular weight of 460.21 g/mol. Its IUPAC name is N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-oxadiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-oxadiazolidine-4-carboxamide
PubChem CID175115425
Molecular FormulaC16H12Cl2FN5O6
Molecular Weight460.21 g/mol
Exact Mass459.01
IUPAC NameN-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-oxadiazolidine-4-carboxamide
SMILESCC(C)c1cc(Oc2c(Cl)cc(NC(=O)n3c(=O)[nH]oc3=O)c(F)c2Cl)n[nH]c1=O
InChIInChI=1S/C16H12Cl2FN5O6/c1-5(2)6-3-9(21-22-13(6)25)29-12-7(17)4-8(11(19)10(12)18)20-14(26)24-15(27)23-30-16(24)28/h3-5H,1-2H3,(H,20,26)(H,22,25)(H,23,27)
InChIKeyBCBPFAUWYVKVEV-UHFFFAOYSA-N
XLogP2.65
TPSA152.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.21
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-oxadiazolidine-4-carboxamide?
The IUPAC name of N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-oxadiazolidine-4-carboxamide (CID 175115425) is N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-oxadiazolidine-4-carboxamide.
What is the SMILES notation for N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-oxadiazolidine-4-carboxamide?
The canonical SMILES for N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-oxadiazolidine-4-carboxamide is CC(C)c1cc(Oc2c(Cl)cc(NC(=O)n3c(=O)[nH]oc3=O)c(F)c2Cl)n[nH]c1=O.
What is the InChIKey of N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-oxadiazolidine-4-carboxamide?
The InChIKey is BCBPFAUWYVKVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN5O6/c1-5(2)6-3-9(21-22-13(6)25)29-12-7(17)4-8(11(19)10(12)18)20-14(26)24-15(27)23-30-16(24)28/h3-5H,1-2H3,(H,20,26)(H,22,25)(H,23,27).
What are the key properties of N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-oxadiazolidine-4-carboxamide?
N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-oxadiazolidine-4-carboxamide has a molecular weight of 460.21 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-2-fluoro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-oxadiazolidine-4-carboxamide is sourced from PubChem (CID 175115425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).