N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide

C19H22FN3O2 — CID 75465722

IUPACN-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCCC2)NCCc1cccc(F)c1
InChIInChI=1S/C19H22FN3O2/c20-16-7-4-5-14(11-16)9-10-21-18(24)13-23-19(25)12-15-6-2-1-3-8-17(15)22-23/h4-5,7,11-12H,1-3,6,8-10,13H2,(H,21,24)
InChIKeyGPTDPHIBWSKVKA-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.01
Rot. Bonds5

About N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide

N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide (PubChem CID 75465722) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
PubChem CID75465722
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCCC2)NCCc1cccc(F)c1
InChIInChI=1S/C19H22FN3O2/c20-16-7-4-5-14(11-16)9-10-21-18(24)13-23-19(25)12-15-6-2-1-3-8-17(15)22-23/h4-5,7,11-12H,1-3,6,8-10,13H2,(H,21,24)
InChIKeyGPTDPHIBWSKVKA-UHFFFAOYSA-N
XLogP2.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide (CID 75465722) is N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide is O=C(Cn1nc2c(cc1=O)CCCCC2)NCCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The InChIKey is GPTDPHIBWSKVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-16-7-4-5-14(11-16)9-10-21-18(24)13-23-19(25)12-15-6-2-1-3-8-17(15)22-23/h4-5,7,11-12H,1-3,6,8-10,13H2,(H,21,24).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide has a molecular weight of 343.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide is sourced from PubChem (CID 75465722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).