1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone

C16H11ClFNO — CID 82791619

IUPAC1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone
SMILESO=C(Cn1ccc2c(F)cccc21)c1cccc(Cl)c1
InChIInChI=1S/C16H11ClFNO/c17-12-4-1-3-11(9-12)16(20)10-19-8-7-13-14(18)5-2-6-15(13)19/h1-9H,10H2
InChIKeyMVXBUPCQXUBJBB-UHFFFAOYSA-N
MW287.72 g/mol
LogP4.32
Rot. Bonds3

About 1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone

1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone (PubChem CID 82791619) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone
PubChem CID82791619
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone
SMILESO=C(Cn1ccc2c(F)cccc21)c1cccc(Cl)c1
InChIInChI=1S/C16H11ClFNO/c17-12-4-1-3-11(9-12)16(20)10-19-8-7-13-14(18)5-2-6-15(13)19/h1-9H,10H2
InChIKeyMVXBUPCQXUBJBB-UHFFFAOYSA-N
XLogP4.32
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone 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-(5-chlorothiophen-2-yl)-2-(4-fluoroindol-1-yl)ethanone
CID 82791761
2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone
CID 115351663
1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone
CID 63554610
1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole
CID 114859510
1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one
CID 82782618
1-[2-(3-chlorophenyl)-2-oxoethyl]-3-ethylimidazol-2-one
CID 80580912
1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone
CID 103427977
N,N-diethyl-2-(4-fluoroindol-1-yl)acetamide
CID 82794493
1-[2-(3-chlorophenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
CID 62928037
propan-2-yl 2-(4-fluoroindol-1-yl)acetate
CID 82793078
2-(4,6-dichloroindol-1-yl)-1-(2-fluorophenyl)ethanone
CID 103427998
2-(2-chloro-3-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 112653250

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone (CID 82791619) is 1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone is O=C(Cn1ccc2c(F)cccc21)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone?
The InChIKey is MVXBUPCQXUBJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c17-12-4-1-3-11(9-12)16(20)10-19-8-7-13-14(18)5-2-6-15(13)19/h1-9H,10H2.
What are the key properties of 1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone?
1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone has a molecular weight of 287.72 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone is sourced from PubChem (CID 82791619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).