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

C22H18BrNO — CID 71452475

IUPAC(4-bromonaphthalen-1-yl)-(1-propylindol-3-yl)methanone
SMILESCCCn1cc(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21
InChIInChI=1S/C22H18BrNO/c1-2-13-24-14-19(17-9-5-6-10-21(17)24)22(25)18-11-12-20(23)16-8-4-3-7-15(16)18/h3-12,14H,2,13H2,1H3
InChIKeyWVIZNXOUOCIGAS-UHFFFAOYSA-N
MW392.30 g/mol
LogP6.20
Rot. Bonds4

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

(4-bromonaphthalen-1-yl)-(1-propylindol-3-yl)methanone (PubChem CID 71452475) has the molecular formula C22H18BrNO and a molecular weight of 392.30 g/mol. Its IUPAC name is (4-bromonaphthalen-1-yl)-(1-propylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-bromonaphthalen-1-yl)-(1-propylindol-3-yl)methanone
PubChem CID71452475
Molecular FormulaC22H18BrNO
Molecular Weight392.30 g/mol
Exact Mass391.06
IUPAC Name(4-bromonaphthalen-1-yl)-(1-propylindol-3-yl)methanone
SMILESCCCn1cc(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21
InChIInChI=1S/C22H18BrNO/c1-2-13-24-14-19(17-9-5-6-10-21(17)24)22(25)18-11-12-20(23)16-8-4-3-7-15(16)18/h3-12,14H,2,13H2,1H3
InChIKeyWVIZNXOUOCIGAS-UHFFFAOYSA-N
XLogP6.20
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.30
LogP ≤ 56.20
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)-(1-propylindol-3-yl)methanone?
The IUPAC name of (4-bromonaphthalen-1-yl)-(1-propylindol-3-yl)methanone (CID 71452475) is (4-bromonaphthalen-1-yl)-(1-propylindol-3-yl)methanone.
What is the SMILES notation for (4-bromonaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
The canonical SMILES for (4-bromonaphthalen-1-yl)-(1-propylindol-3-yl)methanone is CCCn1cc(C(=O)c2ccc(Br)c3ccccc23)c2ccccc21.
What is the InChIKey of (4-bromonaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
The InChIKey is WVIZNXOUOCIGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrNO/c1-2-13-24-14-19(17-9-5-6-10-21(17)24)22(25)18-11-12-20(23)16-8-4-3-7-15(16)18/h3-12,14H,2,13H2,1H3.
What are the key properties of (4-bromonaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
(4-bromonaphthalen-1-yl)-(1-propylindol-3-yl)methanone has a molecular weight of 392.30 g/mol, XLogP of 6.20, 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)-(1-propylindol-3-yl)methanone is sourced from PubChem (CID 71452475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).