N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

C17H16F3N3O2 — CID 91632624

IUPACN-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NC1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)12-3-1-2-10(6-12)7-15(24)21-13-4-5-14-11(8-13)9-16(25)23-22-14/h1-3,6,9,13H,4-5,7-8H2,(H,21,24)(H,23,25)
InChIKeySANWUQUFNPTQSO-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.00
Rot. Bonds3

About N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 91632624) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID91632624
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NC1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)12-3-1-2-10(6-12)7-15(24)21-13-4-5-14-11(8-13)9-16(25)23-22-14/h1-3,6,9,13H,4-5,7-8H2,(H,21,24)(H,23,25)
InChIKeySANWUQUFNPTQSO-UHFFFAOYSA-N
XLogP2.00
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 91632624) is N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)NC1CCc2n[nH]c(=O)cc2C1.
What is the InChIKey of N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SANWUQUFNPTQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-17(19,20)12-3-1-2-10(6-12)7-15(24)21-13-4-5-14-11(8-13)9-16(25)23-22-14/h1-3,6,9,13H,4-5,7-8H2,(H,21,24)(H,23,25).
What are the key properties of N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 351.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 91632624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).