N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide

C17H16F3N3O3 — CID 129416875

IUPACN-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)26-13-4-1-10(2-5-13)7-15(24)21-12-3-6-14-11(8-12)9-16(25)23-22-14/h1-2,4-5,9,12H,3,6-8H2,(H,21,24)(H,23,25)/t12-/m1/s1
InChIKeyIKUICNXSMWZGLD-GFCCVEGCSA-N
MW367.33 g/mol
LogP1.88
Rot. Bonds4

About N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide

N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 129416875) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID129416875
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC NameN-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)26-13-4-1-10(2-5-13)7-15(24)21-12-3-6-14-11(8-12)9-16(25)23-22-14/h1-2,4-5,9,12H,3,6-8H2,(H,21,24)(H,23,25)/t12-/m1/s1
InChIKeyIKUICNXSMWZGLD-GFCCVEGCSA-N
XLogP1.88
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide with MolForge

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Related Compounds

N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 91632624
1-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)pyrrole-2-carboxamide
CID 91632637
5-methyl-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1,2-oxazole-3-carboxamide
CID 129417338
3-acetamido-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)benzamide
CID 91632641
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 94794742
5-chloro-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide
CID 129417306
N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 91631718
N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 51076389
N-(4-hydroxy-4-phenylcyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 154861590
1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 62620228
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 52626231
2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55764655

Frequently Asked Questions

What is the IUPAC name of N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 129416875) is N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCc2n[nH]c(=O)cc2C1.
What is the InChIKey of N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is IKUICNXSMWZGLD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c18-17(19,20)26-13-4-1-10(2-5-13)7-15(24)21-12-3-6-14-11(8-12)9-16(25)23-22-14/h1-2,4-5,9,12H,3,6-8H2,(H,21,24)(H,23,25)/t12-/m1/s1.
What are the key properties of N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 367.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 129416875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).