8-fluoro-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide

C23H15FN2O2 — CID 19795466

IUPAC8-fluoro-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2ccc3c4cc(F)ccc4[nH]c3c2cc1O
InChIInChI=1S/C23H15FN2O2/c24-14-7-9-20-18(11-14)16-8-6-13-10-19(21(27)12-17(13)22(16)26-20)23(28)25-15-4-2-1-3-5-15/h1-12,26-27H,(H,25,28)
InChIKeyYTXLSZQEIBFUMG-UHFFFAOYSA-N
MW370.38 g/mol
LogP5.57
Rot. Bonds2

About 8-fluoro-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide

8-fluoro-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide (PubChem CID 19795466) has the molecular formula C23H15FN2O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 8-fluoro-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide
PubChem CID19795466
Molecular FormulaC23H15FN2O2
Molecular Weight370.38 g/mol
Exact Mass370.11
IUPAC Name8-fluoro-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2ccc3c4cc(F)ccc4[nH]c3c2cc1O
InChIInChI=1S/C23H15FN2O2/c24-14-7-9-20-18(11-14)16-8-6-13-10-19(21(27)12-17(13)22(16)26-20)23(28)25-15-4-2-1-3-5-15/h1-12,26-27H,(H,25,28)
InChIKeyYTXLSZQEIBFUMG-UHFFFAOYSA-N
XLogP5.57
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.38
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide?
The IUPAC name of 8-fluoro-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide (CID 19795466) is 8-fluoro-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide.
What is the SMILES notation for 8-fluoro-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide?
The canonical SMILES for 8-fluoro-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide is O=C(Nc1ccccc1)c1cc2ccc3c4cc(F)ccc4[nH]c3c2cc1O.
What is the InChIKey of 8-fluoro-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide?
The InChIKey is YTXLSZQEIBFUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN2O2/c24-14-7-9-20-18(11-14)16-8-6-13-10-19(21(27)12-17(13)22(16)26-20)23(28)25-15-4-2-1-3-5-15/h1-12,26-27H,(H,25,28).
What are the key properties of 8-fluoro-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide?
8-fluoro-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 5.57, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-hydroxy-N-phenyl-11H-benzo[a]carbazole-3-carboxamide is sourced from PubChem (CID 19795466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).