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

C25H25FN2O2 — CID 22738520

IUPAC9-[(3-fluorophenyl)methyl]-5-hydroxy-7-pentylcarbazole-4-carboxamide
SMILESCCCCCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(F)c3)c2c1
InChIInChI=1S/C25H25FN2O2/c1-2-3-4-7-16-13-21-24(22(29)14-16)23-19(25(27)30)10-6-11-20(23)28(21)15-17-8-5-9-18(26)12-17/h5-6,8-14,29H,2-4,7,15H2,1H3,(H2,27,30)
InChIKeyGFUUIZQNBFWVHT-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.52
Rot. Bonds7

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

9-[(3-fluorophenyl)methyl]-5-hydroxy-7-pentylcarbazole-4-carboxamide (PubChem CID 22738520) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-pentylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3-fluorophenyl)methyl]-5-hydroxy-7-pentylcarbazole-4-carboxamide
PubChem CID22738520
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name9-[(3-fluorophenyl)methyl]-5-hydroxy-7-pentylcarbazole-4-carboxamide
SMILESCCCCCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(F)c3)c2c1
InChIInChI=1S/C25H25FN2O2/c1-2-3-4-7-16-13-21-24(22(29)14-16)23-19(25(27)30)10-6-11-20(23)28(21)15-17-8-5-9-18(26)12-17/h5-6,8-14,29H,2-4,7,15H2,1H3,(H2,27,30)
InChIKeyGFUUIZQNBFWVHT-UHFFFAOYSA-N
XLogP5.52
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
9-Hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)pyrrolo(3,4-C)carbazole-1,3(2H,6H)-dione
CID 10364585
1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dimethylphenyl)methyl]-4-hydroxy-1H-indole-2-carboxamide
CID 10071127
N,1-bis[(3-carbamimidoylphenyl)methyl]-4-hydroxy-1H-indole-2-carboxamide
CID 11048452
9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide
CID 77461280
1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-{[3-methyl-5-(trifluoromethyl)phenyl]methyl}-1H-indole-2-carboxamide
CID 10896126
1-[(3-carbamimidoylphenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-hydroxy-1H-indole-2-carboxamide
CID 10927859
1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 10949672
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

Frequently Asked Questions

What is the IUPAC name of 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-pentylcarbazole-4-carboxamide?
The IUPAC name of 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-pentylcarbazole-4-carboxamide (CID 22738520) is 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-pentylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-pentylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-pentylcarbazole-4-carboxamide is CCCCCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(F)c3)c2c1.
What is the InChIKey of 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-pentylcarbazole-4-carboxamide?
The InChIKey is GFUUIZQNBFWVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c1-2-3-4-7-16-13-21-24(22(29)14-16)23-19(25(27)30)10-6-11-20(23)28(21)15-17-8-5-9-18(26)12-17/h5-6,8-14,29H,2-4,7,15H2,1H3,(H2,27,30).
What are the key properties of 9-[(3-fluorophenyl)methyl]-5-hydroxy-7-pentylcarbazole-4-carboxamide?
9-[(3-fluorophenyl)methyl]-5-hydroxy-7-pentylcarbazole-4-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 5.52, 7 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-pentylcarbazole-4-carboxamide is sourced from PubChem (CID 22738520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).