1-[3-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]ethanone

C20H16ClNO2 — CID 56934647

IUPAC1-[3-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]ethanone
SMILESCC(=O)c1c2n(c3ccccc13)CCC2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClNO2/c1-12(23)18-15-4-2-3-5-17(15)22-11-10-16(19(18)22)20(24)13-6-8-14(21)9-7-13/h2-9,16H,10-11H2,1H3
InChIKeyJUKHXQZADRDSNS-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.87
Rot. Bonds3

About 1-[3-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]ethanone

1-[3-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]ethanone (PubChem CID 56934647) has the molecular formula C20H16ClNO2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-[3-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]ethanone
PubChem CID56934647
Molecular FormulaC20H16ClNO2
Molecular Weight337.81 g/mol
Exact Mass337.09
IUPAC Name1-[3-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]ethanone
SMILESCC(=O)c1c2n(c3ccccc13)CCC2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClNO2/c1-12(23)18-15-4-2-3-5-17(15)22-11-10-16(19(18)22)20(24)13-6-8-14(21)9-7-13/h2-9,16H,10-11H2,1H3
InChIKeyJUKHXQZADRDSNS-UHFFFAOYSA-N
XLogP4.87
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-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

(4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
CID 122219331
(4-methoxyphenyl)-[(3R)-3-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
CID 122219335
1-(2-chloro-1-methylsulfonylindol-3-yl)ethanone
CID 118447336
1-(2-chloro-1-propylindol-3-yl)ethanone
CID 82268364
[4-(trideuteriomethoxymethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate
CID 10635212
(4-chlorophenyl)-(1-indol-1-ylpiperidin-4-yl)methanone
CID 173284837
4-acetyl-3-(4-chlorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one
CID 154491155
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
1-[2-chloro-1-(3-methylbut-3-enyl)indol-3-yl]ethanone
CID 101492532
2-(4-chlorobenzoyl)-1-prop-2-enylindole-3-carboxylate
CID 7256091
2-(4-chlorobenzoyl)-6-(4-phenylpiperazin-1-yl)cyclohexan-1-one
CID 3063748
[(3R,4S)-4-(4-chlorobenzoyl)-1-methylpyrrolidin-3-yl]-(4-chlorophenyl)methanone
CID 1484785

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]ethanone?
The IUPAC name of 1-[3-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]ethanone (CID 56934647) is 1-[3-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]ethanone.
What is the SMILES notation for 1-[3-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]ethanone?
The canonical SMILES for 1-[3-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]ethanone is CC(=O)c1c2n(c3ccccc13)CCC2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[3-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]ethanone?
The InChIKey is JUKHXQZADRDSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2/c1-12(23)18-15-4-2-3-5-17(15)22-11-10-16(19(18)22)20(24)13-6-8-14(21)9-7-13/h2-9,16H,10-11H2,1H3.
What are the key properties of 1-[3-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]ethanone?
1-[3-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]ethanone has a molecular weight of 337.81 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]ethanone is sourced from PubChem (CID 56934647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).