1-[6-acetyl-9-(2-bromoethyl)carbazol-3-yl]ethanone

C18H16BrNO2 — CID 58544922

IUPAC1-[6-acetyl-9-(2-bromoethyl)carbazol-3-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2CCBr
InChIInChI=1S/C18H16BrNO2/c1-11(21)13-3-5-17-15(9-13)16-10-14(12(2)22)4-6-18(16)20(17)8-7-19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyGBONFVBFBULUIW-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.59
Rot. Bonds4

About 1-[6-acetyl-9-(2-bromoethyl)carbazol-3-yl]ethanone

1-[6-acetyl-9-(2-bromoethyl)carbazol-3-yl]ethanone (PubChem CID 58544922) has the molecular formula C18H16BrNO2 and a molecular weight of 358.24 g/mol. Its IUPAC name is 1-[6-acetyl-9-(2-bromoethyl)carbazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-acetyl-9-(2-bromoethyl)carbazol-3-yl]ethanone
PubChem CID58544922
Molecular FormulaC18H16BrNO2
Molecular Weight358.24 g/mol
Exact Mass357.04
IUPAC Name1-[6-acetyl-9-(2-bromoethyl)carbazol-3-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2CCBr
InChIInChI=1S/C18H16BrNO2/c1-11(21)13-3-5-17-15(9-13)16-10-14(12(2)22)4-6-18(16)20(17)8-7-19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyGBONFVBFBULUIW-UHFFFAOYSA-N
XLogP4.59
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-acetyl-9-(2-bromoethyl)carbazol-3-yl]ethanone?
The IUPAC name of 1-[6-acetyl-9-(2-bromoethyl)carbazol-3-yl]ethanone (CID 58544922) is 1-[6-acetyl-9-(2-bromoethyl)carbazol-3-yl]ethanone.
What is the SMILES notation for 1-[6-acetyl-9-(2-bromoethyl)carbazol-3-yl]ethanone?
The canonical SMILES for 1-[6-acetyl-9-(2-bromoethyl)carbazol-3-yl]ethanone is CC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2CCBr.
What is the InChIKey of 1-[6-acetyl-9-(2-bromoethyl)carbazol-3-yl]ethanone?
The InChIKey is GBONFVBFBULUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO2/c1-11(21)13-3-5-17-15(9-13)16-10-14(12(2)22)4-6-18(16)20(17)8-7-19/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-[6-acetyl-9-(2-bromoethyl)carbazol-3-yl]ethanone?
1-[6-acetyl-9-(2-bromoethyl)carbazol-3-yl]ethanone has a molecular weight of 358.24 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-acetyl-9-(2-bromoethyl)carbazol-3-yl]ethanone is sourced from PubChem (CID 58544922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).