2-hydroxy-N-phenyl-N-(trifluoromethyl)-11H-benzo[a]carbazole-3-carboxamide

C24H15F3N2O2 — CID 57273168

IUPAC2-hydroxy-N-phenyl-N-(trifluoromethyl)-11H-benzo[a]carbazole-3-carboxamide
SMILESO=C(c1cc2ccc3c4ccccc4[nH]c3c2cc1O)N(c1ccccc1)C(F)(F)F
InChIInChI=1S/C24H15F3N2O2/c25-24(26,27)29(15-6-2-1-3-7-15)23(31)19-12-14-10-11-17-16-8-4-5-9-20(16)28-22(17)18(14)13-21(19)30/h1-13,28,30H
InChIKeyDOJRASZYOHWALI-UHFFFAOYSA-N
MW420.39 g/mol
LogP6.35
Rot. Bonds2

About 2-hydroxy-N-phenyl-N-(trifluoromethyl)-11H-benzo[a]carbazole-3-carboxamide

2-hydroxy-N-phenyl-N-(trifluoromethyl)-11H-benzo[a]carbazole-3-carboxamide (PubChem CID 57273168) has the molecular formula C24H15F3N2O2 and a molecular weight of 420.39 g/mol. Its IUPAC name is 2-hydroxy-N-phenyl-N-(trifluoromethyl)-11H-benzo[a]carbazole-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-phenyl-N-(trifluoromethyl)-11H-benzo[a]carbazole-3-carboxamide
PubChem CID57273168
Molecular FormulaC24H15F3N2O2
Molecular Weight420.39 g/mol
Exact Mass420.11
IUPAC Name2-hydroxy-N-phenyl-N-(trifluoromethyl)-11H-benzo[a]carbazole-3-carboxamide
SMILESO=C(c1cc2ccc3c4ccccc4[nH]c3c2cc1O)N(c1ccccc1)C(F)(F)F
InChIInChI=1S/C24H15F3N2O2/c25-24(26,27)29(15-6-2-1-3-7-15)23(31)19-12-14-10-11-17-16-8-4-5-9-20(16)28-22(17)18(14)13-21(19)30/h1-13,28,30H
InChIKeyDOJRASZYOHWALI-UHFFFAOYSA-N
XLogP6.35
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.39
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

11H-Benzo[a]carbazole-3-carboxamide, 2-hydroxy-N-(4-methoxyphenyl)-
CID 66572
11H-Benzo[a]carbazole-3-carboxamide, 2-hydroxy-N-(4-methoxy-2-methylphenyl)-
CID 79920
1-Hydroxy-N-[2-(5-hydroxy-1H-indol-3-YL)ethyl]naphthalene-2-carboxamide
CID 73438566
9-hydroxy-4-(4-hydroxyphenyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
CID 10405212
9-hydroxy-4,5-diphenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
CID 11842838
9-hydroxy-5-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
CID 11844478
9-Hydroxy-4-(2-trifluoromethylphenyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
CID 11844609
4-(biphenyl-2-yl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
CID 11844611
2-hydroxy-9-(trifluoromethyl)-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic acid
CID 16047524
2-hydroxy-8-(trifluoromethyl)-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic acid
CID 16047530
10-fluoro-2-hydroxy-7-(trifluoromethyl)-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic acid
CID 16047655
2-hydroxy-8-phenyl-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic acid
CID 16047658

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-phenyl-N-(trifluoromethyl)-11H-benzo[a]carbazole-3-carboxamide?
The IUPAC name of 2-hydroxy-N-phenyl-N-(trifluoromethyl)-11H-benzo[a]carbazole-3-carboxamide (CID 57273168) is 2-hydroxy-N-phenyl-N-(trifluoromethyl)-11H-benzo[a]carbazole-3-carboxamide.
What is the SMILES notation for 2-hydroxy-N-phenyl-N-(trifluoromethyl)-11H-benzo[a]carbazole-3-carboxamide?
The canonical SMILES for 2-hydroxy-N-phenyl-N-(trifluoromethyl)-11H-benzo[a]carbazole-3-carboxamide is O=C(c1cc2ccc3c4ccccc4[nH]c3c2cc1O)N(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-hydroxy-N-phenyl-N-(trifluoromethyl)-11H-benzo[a]carbazole-3-carboxamide?
The InChIKey is DOJRASZYOHWALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N2O2/c25-24(26,27)29(15-6-2-1-3-7-15)23(31)19-12-14-10-11-17-16-8-4-5-9-20(16)28-22(17)18(14)13-21(19)30/h1-13,28,30H.
What are the key properties of 2-hydroxy-N-phenyl-N-(trifluoromethyl)-11H-benzo[a]carbazole-3-carboxamide?
2-hydroxy-N-phenyl-N-(trifluoromethyl)-11H-benzo[a]carbazole-3-carboxamide has a molecular weight of 420.39 g/mol, XLogP of 6.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-phenyl-N-(trifluoromethyl)-11H-benzo[a]carbazole-3-carboxamide is sourced from PubChem (CID 57273168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).