1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indole-5-carboxamide

C24H27FN2O2 — CID 164621461

IUPAC1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indole-5-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)c2ccc3c(ccn3-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C24H27FN2O2/c1-24(2,29)18-7-9-20(10-8-18)26-23(28)17-6-11-22-16(14-17)12-13-27(22)21-5-3-4-19(25)15-21/h3-6,11-15,18,20,29H,7-10H2,1-2H3,(H,26,28)
InChIKeySKTKLIHVFFYOMX-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.83
Rot. Bonds4

About 1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indole-5-carboxamide

1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indole-5-carboxamide (PubChem CID 164621461) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indole-5-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indole-5-carboxamide
PubChem CID164621461
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC Name1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indole-5-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)c2ccc3c(ccn3-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C24H27FN2O2/c1-24(2,29)18-7-9-20(10-8-18)26-23(28)17-6-11-22-16(14-17)12-13-27(22)21-5-3-4-19(25)15-21/h3-6,11-15,18,20,29H,7-10H2,1-2H3,(H,26,28)
InChIKeySKTKLIHVFFYOMX-UHFFFAOYSA-N
XLogP4.83
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indole-5-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indole-5-carboxamide (CID 164621461) is 1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indole-5-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indole-5-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indole-5-carboxamide is CC(C)(O)C1CCC(NC(=O)c2ccc3c(ccn3-c3cccc(F)c3)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indole-5-carboxamide?
The InChIKey is SKTKLIHVFFYOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2/c1-24(2,29)18-7-9-20(10-8-18)26-23(28)17-6-11-22-16(14-17)12-13-27(22)21-5-3-4-19(25)15-21/h3-6,11-15,18,20,29H,7-10H2,1-2H3,(H,26,28).
What are the key properties of 1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indole-5-carboxamide?
1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indole-5-carboxamide has a molecular weight of 394.49 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indole-5-carboxamide is sourced from PubChem (CID 164621461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).