9-hydroxy-2-methyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

C20H15F3N2O3 — CID 56851533

IUPAC9-hydroxy-2-methyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
SMILESCC1Cc2cccc3c(O)c(C(=O)Nc4cccc(C(F)(F)F)c4)c(=O)n1c23
InChIInChI=1S/C20H15F3N2O3/c1-10-8-11-4-2-7-14-16(11)25(10)19(28)15(17(14)26)18(27)24-13-6-3-5-12(9-13)20(21,22)23/h2-7,9-10,26H,8H2,1H3,(H,24,27)
InChIKeyAOUZMKWGDNWSKO-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.10
Rot. Bonds2

About 9-hydroxy-2-methyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide

9-hydroxy-2-methyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide (PubChem CID 56851533) has the molecular formula C20H15F3N2O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is 9-hydroxy-2-methyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide.

Molecular Properties

Compound Name9-hydroxy-2-methyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
PubChem CID56851533
Molecular FormulaC20H15F3N2O3
Molecular Weight388.35 g/mol
Exact Mass388.10
IUPAC Name9-hydroxy-2-methyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
SMILESCC1Cc2cccc3c(O)c(C(=O)Nc4cccc(C(F)(F)F)c4)c(=O)n1c23
InChIInChI=1S/C20H15F3N2O3/c1-10-8-11-4-2-7-14-16(11)25(10)19(28)15(17(14)26)18(27)24-13-6-3-5-12(9-13)20(21,22)23/h2-7,9-10,26H,8H2,1H3,(H,24,27)
InChIKeyAOUZMKWGDNWSKO-UHFFFAOYSA-N
XLogP4.10
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-9-hydroxy-N-(4-methoxy-2-methylphenyl)-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
CID 124635080
N-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 133197655
6-hydroxy-10-methyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-3-oxa-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,12(16),13-pentaene-4,8-dione
CID 59241612
(12R)-7-fluoro-4-hydroxy-12-methyl-2-oxo-N-pyridin-4-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
CID 54687566
2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170317070
2,3,4,5-tetrafluoro-6-formyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 88891558
4-hydroxy-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 54713541
2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 26289494
2,3,5-trihydroxy-7-methyl-N-(3-methylphenyl)-6-[1,6,7-trihydroxy-3-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide
CID 131976643
2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501324
6-(4-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109095520
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-methyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The IUPAC name of 9-hydroxy-2-methyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide (CID 56851533) is 9-hydroxy-2-methyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide.
What is the SMILES notation for 9-hydroxy-2-methyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The canonical SMILES for 9-hydroxy-2-methyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide is CC1Cc2cccc3c(O)c(C(=O)Nc4cccc(C(F)(F)F)c4)c(=O)n1c23.
What is the InChIKey of 9-hydroxy-2-methyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
The InChIKey is AOUZMKWGDNWSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3/c1-10-8-11-4-2-7-14-16(11)25(10)19(28)15(17(14)26)18(27)24-13-6-3-5-12(9-13)20(21,22)23/h2-7,9-10,26H,8H2,1H3,(H,24,27).
What are the key properties of 9-hydroxy-2-methyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide?
9-hydroxy-2-methyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-methyl-11-oxo-N-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide is sourced from PubChem (CID 56851533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).