azocan-1-yl-(3-bromo-1H-indol-2-yl)methanone

C16H19BrN2O — CID 51122078

IUPACazocan-1-yl-(3-bromo-1H-indol-2-yl)methanone
SMILESO=C(c1[nH]c2ccccc2c1Br)N1CCCCCCC1
InChIInChI=1S/C16H19BrN2O/c17-14-12-8-4-5-9-13(12)18-15(14)16(20)19-10-6-2-1-3-7-11-19/h4-5,8-9,18H,1-3,6-7,10-11H2
InChIKeyFMFPMCNJCPJBGT-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.34
Rot. Bonds1

About azocan-1-yl-(3-bromo-1H-indol-2-yl)methanone

azocan-1-yl-(3-bromo-1H-indol-2-yl)methanone (PubChem CID 51122078) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is azocan-1-yl-(3-bromo-1H-indol-2-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(3-bromo-1H-indol-2-yl)methanone
PubChem CID51122078
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Nameazocan-1-yl-(3-bromo-1H-indol-2-yl)methanone
SMILESO=C(c1[nH]c2ccccc2c1Br)N1CCCCCCC1
InChIInChI=1S/C16H19BrN2O/c17-14-12-8-4-5-9-13(12)18-15(14)16(20)19-10-6-2-1-3-7-11-19/h4-5,8-9,18H,1-3,6-7,10-11H2
InChIKeyFMFPMCNJCPJBGT-UHFFFAOYSA-N
XLogP4.34
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(3-bromo-1H-indol-2-yl)methanone?
The IUPAC name of azocan-1-yl-(3-bromo-1H-indol-2-yl)methanone (CID 51122078) is azocan-1-yl-(3-bromo-1H-indol-2-yl)methanone.
What is the SMILES notation for azocan-1-yl-(3-bromo-1H-indol-2-yl)methanone?
The canonical SMILES for azocan-1-yl-(3-bromo-1H-indol-2-yl)methanone is O=C(c1[nH]c2ccccc2c1Br)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-(3-bromo-1H-indol-2-yl)methanone?
The InChIKey is FMFPMCNJCPJBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c17-14-12-8-4-5-9-13(12)18-15(14)16(20)19-10-6-2-1-3-7-11-19/h4-5,8-9,18H,1-3,6-7,10-11H2.
What are the key properties of azocan-1-yl-(3-bromo-1H-indol-2-yl)methanone?
azocan-1-yl-(3-bromo-1H-indol-2-yl)methanone has a molecular weight of 335.25 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(3-bromo-1H-indol-2-yl)methanone is sourced from PubChem (CID 51122078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).