9-[(3-fluorophenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide

C26H19FN2O2 — CID 22738844

IUPAC9-[(3-fluorophenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1c(O)cc(-c3ccccc3)cc1n2Cc1cccc(F)c1
InChIInChI=1S/C26H19FN2O2/c27-19-9-4-6-16(12-19)15-29-21-11-5-10-20(26(28)31)24(21)25-22(29)13-18(14-23(25)30)17-7-2-1-3-8-17/h1-14,30H,15H2,(H2,28,31)
InChIKeyMUKQTHSZRDMEOV-UHFFFAOYSA-N
MW410.45 g/mol
LogP5.45
Rot. Bonds4

About 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide

9-[(3-fluorophenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide (PubChem CID 22738844) has the molecular formula C26H19FN2O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3-fluorophenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide
PubChem CID22738844
Molecular FormulaC26H19FN2O2
Molecular Weight410.45 g/mol
Exact Mass410.14
IUPAC Name9-[(3-fluorophenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1c(O)cc(-c3ccccc3)cc1n2Cc1cccc(F)c1
InChIInChI=1S/C26H19FN2O2/c27-19-9-4-6-16(12-19)15-29-21-11-5-10-20(26(28)31)24(21)25-22(29)13-18(14-23(25)30)17-7-2-1-3-8-17/h1-14,30H,15H2,(H2,28,31)
InChIKeyMUKQTHSZRDMEOV-UHFFFAOYSA-N
XLogP5.45
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo[3,4-c]carbazol-6(1H)-yl)propanoic acid
CID 9978312
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1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)-1H-indole-2-carboxamide
CID 10950398
1-[(3-carbamimidoylphenyl)methyl]-N-{[3-fluoro-5-(trifluoromethyl)phenyl]methyl}-4-hydroxy-1H-indole-2-carboxamide
CID 10972928
1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-indole-2-carboxamide
CID 11102680
1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[2-(naphthalen-1-ylamino)ethyl]-1H-indole-2-carboxamide
CID 11113557
1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-difluorophenyl)methyl]-4-hydroxy-1H-indole-2-carboxamide
CID 11732813
2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol
CID 44195154
3-(9-Hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo[3,4-c]carbazol-6(1H)-yl)propanamide
CID 10046459
9-Hydroxy-6-(2-hydroxyethyl)-4-phenylpyrrolo[3,4-c]-carbazole-1,3(2H,6H)-dione
CID 10248686
2-(4-Allyl-1-benzyl-2-ethyl-5-hydroxy-1H-indol-3-yl)-acetamide
CID 10760156
1-[(3-carbamimidoylphenyl)methyl]-N-[(4-carbamimidoylphenyl)methyl]-4-hydroxyindole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide?
The IUPAC name of 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide (CID 22738844) is 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide is NC(=O)c1cccc2c1c1c(O)cc(-c3ccccc3)cc1n2Cc1cccc(F)c1.
What is the InChIKey of 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide?
The InChIKey is MUKQTHSZRDMEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2O2/c27-19-9-4-6-16(12-19)15-29-21-11-5-10-20(26(28)31)24(21)25-22(29)13-18(14-23(25)30)17-7-2-1-3-8-17/h1-14,30H,15H2,(H2,28,31).
What are the key properties of 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide?
9-[(3-fluorophenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide is sourced from PubChem (CID 22738844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).