(1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone

C20H18F3NO — CID 170857137

IUPAC(1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCCCCn1cc(C(=O)c2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C20H18F3NO/c1-2-3-12-24-13-16(14-8-5-7-11-18(14)24)19(25)15-9-4-6-10-17(15)20(21,22)23/h4-11,13H,2-3,12H2,1H3
InChIKeyZPRMHAOWLNOMQS-UHFFFAOYSA-N
MW345.36 g/mol
LogP5.69
Rot. Bonds5

About (1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone

(1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 170857137) has the molecular formula C20H18F3NO and a molecular weight of 345.36 g/mol. Its IUPAC name is (1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID170857137
Molecular FormulaC20H18F3NO
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name(1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCCCCn1cc(C(=O)c2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C20H18F3NO/c1-2-3-12-24-13-16(14-8-5-7-11-18(14)24)19(25)15-9-4-6-10-17(15)20(21,22)23/h4-11,13H,2-3,12H2,1H3
InChIKeyZPRMHAOWLNOMQS-UHFFFAOYSA-N
XLogP5.69
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.36
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]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

(1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857208
(1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857099
[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 170857353
(8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71454234
(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71463154
(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
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 45267043
(1-decylindol-3-yl)-(4-iodophenyl)methanone
CID 170857204
6-bromo-1-(1-butylindol-3-yl)hexan-1-one
CID 54167344
(1-butyl-4-hydroxyindol-3-yl)-naphthalen-1-ylmethanone
CID 53394452
2-(1-dodecylindol-3-yl)-2-oxoacetamide
CID 174644392

Frequently Asked Questions

What is the IUPAC name of (1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 170857137) is (1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone is CCCCn1cc(C(=O)c2ccccc2C(F)(F)F)c2ccccc21.
What is the InChIKey of (1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZPRMHAOWLNOMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO/c1-2-3-12-24-13-16(14-8-5-7-11-18(14)24)19(25)15-9-4-6-10-17(15)20(21,22)23/h4-11,13H,2-3,12H2,1H3.
What are the key properties of (1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
(1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 345.36 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 170857137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).