1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone

C22H20N2O — CID 42067940

IUPAC1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone
SMILESO=C(CNc1ccccc1-c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C22H20N2O/c25-22(24-15-14-18-10-4-7-13-21(18)24)16-23-20-12-6-5-11-19(20)17-8-2-1-3-9-17/h1-13,23H,14-16H2
InChIKeyMLCFRXHAIZCVNC-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.35
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone

1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone (PubChem CID 42067940) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone
PubChem CID42067940
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone
SMILESO=C(CNc1ccccc1-c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C22H20N2O/c25-22(24-15-14-18-10-4-7-13-21(18)24)16-23-20-12-6-5-11-19(20)17-8-2-1-3-9-17/h1-13,23H,14-16H2
InChIKeyMLCFRXHAIZCVNC-UHFFFAOYSA-N
XLogP4.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 42069057
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54827804
(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194966
2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 26507089
2-(2-chloro-4-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9099376
1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone
CID 54827531
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
N-(4-chlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzamide
CID 18286918
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylbenzamide
CID 110370767
2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 60648595

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone (CID 42067940) is 1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone is O=C(CNc1ccccc1-c1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone?
The InChIKey is MLCFRXHAIZCVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c25-22(24-15-14-18-10-4-7-13-21(18)24)16-23-20-12-6-5-11-19(20)17-8-2-1-3-9-17/h1-13,23H,14-16H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone has a molecular weight of 328.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone is sourced from PubChem (CID 42067940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).