N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide

C19H17BrN2O — CID 11474133

IUPACN-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide
SMILESO=C(N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1
InChIInChI=1S/C19H17BrN2O/c20-13-9-10-16-15(11-13)14-7-4-8-17(18(14)21-16)22-19(23)12-5-2-1-3-6-12/h1-3,5-6,9-11,17,21H,4,7-8H2,(H,22,23)/t17-/m1/s1
InChIKeyHJVKWXMBCFDFQI-QGZVFWFLSA-N
MW369.26 g/mol
LogP4.74
Rot. Bonds2

About N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide

N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide (PubChem CID 11474133) has the molecular formula C19H17BrN2O and a molecular weight of 369.26 g/mol. Its IUPAC name is N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide
PubChem CID11474133
Molecular FormulaC19H17BrN2O
Molecular Weight369.26 g/mol
Exact Mass368.05
IUPAC NameN-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide
SMILESO=C(N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1
InChIInChI=1S/C19H17BrN2O/c20-13-9-10-16-15(11-13)14-7-4-8-17(18(14)21-16)22-19(23)12-5-2-1-3-6-12/h1-3,5-6,9-11,17,21H,4,7-8H2,(H,22,23)/t17-/m1/s1
InChIKeyHJVKWXMBCFDFQI-QGZVFWFLSA-N
XLogP4.74
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide?
The IUPAC name of N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide (CID 11474133) is N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide.
What is the SMILES notation for N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide?
The canonical SMILES for N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide is O=C(N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1.
What is the InChIKey of N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide?
The InChIKey is HJVKWXMBCFDFQI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17BrN2O/c20-13-9-10-16-15(11-13)14-7-4-8-17(18(14)21-16)22-19(23)12-5-2-1-3-6-12/h1-3,5-6,9-11,17,21H,4,7-8H2,(H,22,23)/t17-/m1/s1.
What are the key properties of N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide?
N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide has a molecular weight of 369.26 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide is sourced from PubChem (CID 11474133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).