(8-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone

C23H20BrNO — CID 71461421

IUPAC(8-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
SMILESCCCn1c(C)c(C(=O)c2cccc3cccc(Br)c23)c2ccccc21
InChIInChI=1S/C23H20BrNO/c1-3-14-25-15(2)21(17-10-4-5-13-20(17)25)23(26)18-11-6-8-16-9-7-12-19(24)22(16)18/h4-13H,3,14H2,1-2H3
InChIKeyUPEVXJDMQLVSFE-UHFFFAOYSA-N
MW406.32 g/mol
LogP6.51
Rot. Bonds4

About (8-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone

(8-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone (PubChem CID 71461421) has the molecular formula C23H20BrNO and a molecular weight of 406.32 g/mol. Its IUPAC name is (8-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone.

Molecular Properties

Compound Name(8-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
PubChem CID71461421
Molecular FormulaC23H20BrNO
Molecular Weight406.32 g/mol
Exact Mass405.07
IUPAC Name(8-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
SMILESCCCn1c(C)c(C(=O)c2cccc3cccc(Br)c23)c2ccccc21
InChIInChI=1S/C23H20BrNO/c1-3-14-25-15(2)21(17-10-4-5-13-20(17)25)23(26)18-11-6-8-16-9-7-12-19(24)22(16)18/h4-13H,3,14H2,1-2H3
InChIKeyUPEVXJDMQLVSFE-UHFFFAOYSA-N
XLogP6.51
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.32
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The IUPAC name of (8-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone (CID 71461421) is (8-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone.
What is the SMILES notation for (8-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The canonical SMILES for (8-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone is CCCn1c(C)c(C(=O)c2cccc3cccc(Br)c23)c2ccccc21.
What is the InChIKey of (8-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The InChIKey is UPEVXJDMQLVSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrNO/c1-3-14-25-15(2)21(17-10-4-5-13-20(17)25)23(26)18-11-6-8-16-9-7-12-19(24)22(16)18/h4-13H,3,14H2,1-2H3.
What are the key properties of (8-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
(8-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone has a molecular weight of 406.32 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone is sourced from PubChem (CID 71461421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).