9-[(2-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide

C21H17FN2O2 — CID 22738465

IUPAC9-[(2-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide
SMILESCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3ccccc3F)c2c1
InChIInChI=1S/C21H17FN2O2/c1-12-9-17-20(18(25)10-12)19-14(21(23)26)6-4-8-16(19)24(17)11-13-5-2-3-7-15(13)22/h2-10,25H,11H2,1H3,(H2,23,26)
InChIKeyCKABZPKUOKAERO-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.09
Rot. Bonds3

About 9-[(2-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide

9-[(2-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide (PubChem CID 22738465) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 9-[(2-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide
PubChem CID22738465
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name9-[(2-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide
SMILESCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3ccccc3F)c2c1
InChIInChI=1S/C21H17FN2O2/c1-12-9-17-20(18(25)10-12)19-14(21(23)26)6-4-8-16(19)24(17)11-13-5-2-3-7-15(13)22/h2-10,25H,11H2,1H3,(H2,23,26)
InChIKeyCKABZPKUOKAERO-UHFFFAOYSA-N
XLogP4.09
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.09
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
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-[(2-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide?
The IUPAC name of 9-[(2-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide (CID 22738465) is 9-[(2-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(2-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(2-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide is Cc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3ccccc3F)c2c1.
What is the InChIKey of 9-[(2-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide?
The InChIKey is CKABZPKUOKAERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-12-9-17-20(18(25)10-12)19-14(21(23)26)6-4-8-16(19)24(17)11-13-5-2-3-7-15(13)22/h2-10,25H,11H2,1H3,(H2,23,26).
What are the key properties of 9-[(2-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide?
9-[(2-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-fluorophenyl)methyl]-5-hydroxy-7-methylcarbazole-4-carboxamide is sourced from PubChem (CID 22738465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).