(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone

C24H22ClNO — CID 71463154

IUPAC(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2cccc3cccc(Cl)c23)c2ccccc21
InChIInChI=1S/C24H22ClNO/c1-2-3-6-15-26-16-20(18-11-4-5-14-22(18)26)24(27)19-12-7-9-17-10-8-13-21(25)23(17)19/h4-5,7-14,16H,2-3,6,15H2,1H3
InChIKeyLZLCJWHUCAXUOX-UHFFFAOYSA-N
MW375.90 g/mol
LogP6.87
Rot. Bonds6

About (8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone

(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone (PubChem CID 71463154) has the molecular formula C24H22ClNO and a molecular weight of 375.90 g/mol. Its IUPAC name is (8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Name(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
PubChem CID71463154
Molecular FormulaC24H22ClNO
Molecular Weight375.90 g/mol
Exact Mass375.14
IUPAC Name(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2cccc3cccc(Cl)c23)c2ccccc21
InChIInChI=1S/C24H22ClNO/c1-2-3-6-15-26-16-20(18-11-4-5-14-22(18)26)24(27)19-12-7-9-17-10-8-13-21(25)23(17)19/h4-5,7-14,16H,2-3,6,15H2,1H3
InChIKeyLZLCJWHUCAXUOX-UHFFFAOYSA-N
XLogP6.87
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71454234
(1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone
CID 159355298
3-(1-naphthalen-1-ylethenyl)-1-pentylindole
CID 144557582
(1-butyl-4-hydroxyindol-3-yl)-naphthalen-1-ylmethanone
CID 53394452
ethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole
CID 144557581
(1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857208
ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate
CID 72948236
(2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 11268746
[1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 155516632
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
(4-chloronaphthalen-1-yl)-(1-propylindol-3-yl)methanone
CID 71461422
[1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 117065193

Frequently Asked Questions

What is the IUPAC name of (8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The IUPAC name of (8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone (CID 71463154) is (8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone.
What is the SMILES notation for (8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The canonical SMILES for (8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone is CCCCCn1cc(C(=O)c2cccc3cccc(Cl)c23)c2ccccc21.
What is the InChIKey of (8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The InChIKey is LZLCJWHUCAXUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO/c1-2-3-6-15-26-16-20(18-11-4-5-14-22(18)26)24(27)19-12-7-9-17-10-8-13-21(25)23(17)19/h4-5,7-14,16H,2-3,6,15H2,1H3.
What are the key properties of (8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone has a molecular weight of 375.90 g/mol, XLogP of 6.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone is sourced from PubChem (CID 71463154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).