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

C23H20BrNO — CID 71457790

IUPAC(4-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
SMILESCCCn1c(C)c(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21
InChIInChI=1S/C23H20BrNO/c1-3-14-25-15(2)22(19-10-6-7-11-21(19)25)23(26)18-12-13-20(24)17-9-5-4-8-16(17)18/h4-13H,3,14H2,1-2H3
InChIKeyLJUIOTQUQGYOFU-UHFFFAOYSA-N
MW406.32 g/mol
LogP6.51
Rot. Bonds4

About (4-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone

(4-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone (PubChem CID 71457790) has the molecular formula C23H20BrNO and a molecular weight of 406.32 g/mol. Its IUPAC name is (4-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
PubChem CID71457790
Molecular FormulaC23H20BrNO
Molecular Weight406.32 g/mol
Exact Mass405.07
IUPAC Name(4-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
SMILESCCCn1c(C)c(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21
InChIInChI=1S/C23H20BrNO/c1-3-14-25-15(2)22(19-10-6-7-11-21(19)25)23(26)18-12-13-20(24)17-9-5-4-8-16(17)18/h4-13H,3,14H2,1-2H3
InChIKeyLJUIOTQUQGYOFU-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 (4-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The IUPAC name of (4-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone (CID 71457790) is (4-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone.
What is the SMILES notation for (4-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The canonical SMILES for (4-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone is CCCn1c(C)c(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21.
What is the InChIKey of (4-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The InChIKey is LJUIOTQUQGYOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrNO/c1-3-14-25-15(2)22(19-10-6-7-11-21(19)25)23(26)18-12-13-20(24)17-9-5-4-8-16(17)18/h4-13H,3,14H2,1-2H3.
What are the key properties of (4-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
(4-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 (4-bromonaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone is sourced from PubChem (CID 71457790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).