[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl] 2-hydroxyacetate

C23H17F3N2O4 — CID 90986809

IUPAC[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl] 2-hydroxyacetate
SMILESNC(=O)c1cccc2c1c1c(OC(=O)CO)cccc1n2Cc1ccccc1C(F)(F)F
InChIInChI=1S/C23H17F3N2O4/c24-23(25,26)15-7-2-1-5-13(15)11-28-16-8-3-6-14(22(27)31)20(16)21-17(28)9-4-10-18(21)32-19(30)12-29/h1-10,29H,11-12H2,(H2,27,31)
InChIKeyGYTDMDKXDJYWLZ-UHFFFAOYSA-N
MW442.39 g/mol
LogP3.86
Rot. Bonds5

About [5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl] 2-hydroxyacetate

[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl] 2-hydroxyacetate (PubChem CID 90986809) has the molecular formula C23H17F3N2O4 and a molecular weight of 442.39 g/mol. Its IUPAC name is [5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl] 2-hydroxyacetate.

Molecular Properties

Compound Name[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl] 2-hydroxyacetate
PubChem CID90986809
Molecular FormulaC23H17F3N2O4
Molecular Weight442.39 g/mol
Exact Mass442.11
IUPAC Name[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl] 2-hydroxyacetate
SMILESNC(=O)c1cccc2c1c1c(OC(=O)CO)cccc1n2Cc1ccccc1C(F)(F)F
InChIInChI=1S/C23H17F3N2O4/c24-23(25,26)15-7-2-1-5-13(15)11-28-16-8-3-6-14(22(27)31)20(16)21-17(28)9-4-10-18(21)32-19(30)12-29/h1-10,29H,11-12H2,(H2,27,31)
InChIKeyGYTDMDKXDJYWLZ-UHFFFAOYSA-N
XLogP3.86
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate
CID 91121386
2-[5-carbamoyl-2-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 21264357
2-[5-carbamoyl-1-chloro-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]peroxyacetic acid
CID 151349346
7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174401716
7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414256
methyl 2-[5-carbamoyl-1-chloro-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]peroxyacetate
CID 151305881
2-[2-butyl-5-carbamoyl-9-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 151626798
[5-carbamoyl-9-[(2-phenylphenyl)methyl]carbazol-4-yl] ethaneperoxoate
CID 175098119
9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414273
9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 70088178
methyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate
CID 86756275
[7-(4-chlorophenyl)-5-hydroxy-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl] methyl carbonate
CID 150949435

Frequently Asked Questions

What is the IUPAC name of [5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl] 2-hydroxyacetate?
The IUPAC name of [5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl] 2-hydroxyacetate (CID 90986809) is [5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl] 2-hydroxyacetate.
What is the SMILES notation for [5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl] 2-hydroxyacetate?
The canonical SMILES for [5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl] 2-hydroxyacetate is NC(=O)c1cccc2c1c1c(OC(=O)CO)cccc1n2Cc1ccccc1C(F)(F)F.
What is the InChIKey of [5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl] 2-hydroxyacetate?
The InChIKey is GYTDMDKXDJYWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O4/c24-23(25,26)15-7-2-1-5-13(15)11-28-16-8-3-6-14(22(27)31)20(16)21-17(28)9-4-10-18(21)32-19(30)12-29/h1-10,29H,11-12H2,(H2,27,31).
What are the key properties of [5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl] 2-hydroxyacetate?
[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl] 2-hydroxyacetate has a molecular weight of 442.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl] 2-hydroxyacetate is sourced from PubChem (CID 90986809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).