4-bromo-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C16H19BrN2O2 — CID 59375022

IUPAC4-bromo-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC(C)(O)C1CCc2c([nH]c3c(C(N)=O)ccc(Br)c23)C1
InChIInChI=1S/C16H19BrN2O2/c1-16(2,21)8-3-4-9-12(7-8)19-14-10(15(18)20)5-6-11(17)13(9)14/h5-6,8,19,21H,3-4,7H2,1-2H3,(H2,18,20)
InChIKeyQODPYZHMEVDRSR-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.91
Rot. Bonds2

About 4-bromo-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

4-bromo-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 59375022) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 4-bromo-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-bromo-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID59375022
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name4-bromo-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC(C)(O)C1CCc2c([nH]c3c(C(N)=O)ccc(Br)c23)C1
InChIInChI=1S/C16H19BrN2O2/c1-16(2,21)8-3-4-9-12(7-8)19-14-10(15(18)20)5-6-11(17)13(9)14/h5-6,8,19,21H,3-4,7H2,1-2H3,(H2,18,20)
InChIKeyQODPYZHMEVDRSR-UHFFFAOYSA-N
XLogP2.91
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of 4-bromo-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 59375022) is 4-bromo-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for 4-bromo-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for 4-bromo-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is CC(C)(O)C1CCc2c([nH]c3c(C(N)=O)ccc(Br)c23)C1.
What is the InChIKey of 4-bromo-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is QODPYZHMEVDRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-16(2,21)8-3-4-9-12(7-8)19-14-10(15(18)20)5-6-11(17)13(9)14/h5-6,8,19,21H,3-4,7H2,1-2H3,(H2,18,20).
What are the key properties of 4-bromo-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
4-bromo-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 351.24 g/mol, XLogP of 2.91, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 59375022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).