N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

C18H20FN3O2 — CID 75465731

IUPACN-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCC2)NCCc1cccc(F)c1
InChIInChI=1S/C18H20FN3O2/c19-15-6-3-4-13(10-15)8-9-20-17(23)12-22-18(24)11-14-5-1-2-7-16(14)21-22/h3-4,6,10-11H,1-2,5,7-9,12H2,(H,20,23)
InChIKeyCVTDNPWBJFGZHI-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.62
Rot. Bonds5

About N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (PubChem CID 75465731) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
PubChem CID75465731
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCC2)NCCc1cccc(F)c1
InChIInChI=1S/C18H20FN3O2/c19-15-6-3-4-13(10-15)8-9-20-17(23)12-22-18(24)11-14-5-1-2-7-16(14)21-22/h3-4,6,10-11H,1-2,5,7-9,12H2,(H,20,23)
InChIKeyCVTDNPWBJFGZHI-UHFFFAOYSA-N
XLogP1.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.62
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-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (CID 75465731) is N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is O=C(Cn1nc2c(cc1=O)CCCC2)NCCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The InChIKey is CVTDNPWBJFGZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-15-6-3-4-13(10-15)8-9-20-17(23)12-22-18(24)11-14-5-1-2-7-16(14)21-22/h3-4,6,10-11H,1-2,5,7-9,12H2,(H,20,23).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
N-[2-(3-fluorophenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide has a molecular weight of 329.38 g/mol, XLogP of 1.62, 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-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is sourced from PubChem (CID 75465731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).