1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone

C19H20N2O2 — CID 110746141

IUPAC1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H20N2O2/c1-13(22)15-6-9-18-16(12-15)10-11-21(18)19(23)14-4-7-17(8-5-14)20(2)3/h4-9,12H,10-11H2,1-3H3
InChIKeyMRFQYSGPJGNABD-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.16
Rot. Bonds3

About 1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone

1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone (PubChem CID 110746141) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone
PubChem CID110746141
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H20N2O2/c1-13(22)15-6-9-18-16(12-15)10-11-21(18)19(23)14-4-7-17(8-5-14)20(2)3/h4-9,12H,10-11H2,1-3H3
InChIKeyMRFQYSGPJGNABD-UHFFFAOYSA-N
XLogP3.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737345
1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737350
N-[3-(5-acetyl-2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 110746144
1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone
CID 82344236
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
N-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-7-yl]acetamide
CID 112537299
1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 112800385
1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710
N,N-diethyl-1-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 47084013
1-[methyl(propyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61195869

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone?
The IUPAC name of 1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone (CID 110746141) is 1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone.
What is the SMILES notation for 1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone?
The canonical SMILES for 1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone is CC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone?
The InChIKey is MRFQYSGPJGNABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13(22)15-6-9-18-16(12-15)10-11-21(18)19(23)14-4-7-17(8-5-14)20(2)3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone?
1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone has a molecular weight of 308.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone is sourced from PubChem (CID 110746141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).