9-[(3-fluorophenyl)methyl]-5-hydroxy-7-propan-2-ylcarbazole-4-carboxamide

C23H21FN2O2 — CID 22739009

IUPAC9-[(3-fluorophenyl)methyl]-5-hydroxy-7-propan-2-ylcarbazole-4-carboxamide
SMILESCC(C)c1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(F)c3)c2c1
InChIInChI=1S/C23H21FN2O2/c1-13(2)15-10-19-22(20(27)11-15)21-17(23(25)28)7-4-8-18(21)26(19)12-14-5-3-6-16(24)9-14/h3-11,13,27H,12H2,1-2H3,(H2,25,28)
InChIKeyXSQTXHDHNNPCJS-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.91
Rot. Bonds4

About 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-propan-2-ylcarbazole-4-carboxamide

9-[(3-fluorophenyl)methyl]-5-hydroxy-7-propan-2-ylcarbazole-4-carboxamide (PubChem CID 22739009) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-propan-2-ylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3-fluorophenyl)methyl]-5-hydroxy-7-propan-2-ylcarbazole-4-carboxamide
PubChem CID22739009
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name9-[(3-fluorophenyl)methyl]-5-hydroxy-7-propan-2-ylcarbazole-4-carboxamide
SMILESCC(C)c1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(F)c3)c2c1
InChIInChI=1S/C23H21FN2O2/c1-13(2)15-10-19-22(20(27)11-15)21-17(23(25)28)7-4-8-18(21)26(19)12-14-5-3-6-16(24)9-14/h3-11,13,27H,12H2,1-2H3,(H2,25,28)
InChIKeyXSQTXHDHNNPCJS-UHFFFAOYSA-N
XLogP4.91
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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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
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Frequently Asked Questions

What is the IUPAC name of 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-propan-2-ylcarbazole-4-carboxamide?
The IUPAC name of 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-propan-2-ylcarbazole-4-carboxamide (CID 22739009) is 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-propan-2-ylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-propan-2-ylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-propan-2-ylcarbazole-4-carboxamide is CC(C)c1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(F)c3)c2c1.
What is the InChIKey of 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-propan-2-ylcarbazole-4-carboxamide?
The InChIKey is XSQTXHDHNNPCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-13(2)15-10-19-22(20(27)11-15)21-17(23(25)28)7-4-8-18(21)26(19)12-14-5-3-6-16(24)9-14/h3-11,13,27H,12H2,1-2H3,(H2,25,28).
What are the key properties of 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-propan-2-ylcarbazole-4-carboxamide?
9-[(3-fluorophenyl)methyl]-5-hydroxy-7-propan-2-ylcarbazole-4-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 4.91, 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-propan-2-ylcarbazole-4-carboxamide is sourced from PubChem (CID 22739009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).