2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide

C19H17N3O2 — CID 4575435

IUPAC2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
SMILESCC(C(N)=O)N1C(=O)c2ccccc2C1c1c[nH]c2ccccc12
InChIInChI=1S/C19H17N3O2/c1-11(18(20)23)22-17(13-7-2-3-8-14(13)19(22)24)15-10-21-16-9-5-4-6-12(15)16/h2-11,17,21H,1H3,(H2,20,23)
InChIKeyVGEWPASUAYLOSU-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.59
Rot. Bonds3

About 2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide

2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide (PubChem CID 4575435) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide.

Molecular Properties

Compound Name2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
PubChem CID4575435
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
SMILESCC(C(N)=O)N1C(=O)c2ccccc2C1c1c[nH]c2ccccc12
InChIInChI=1S/C19H17N3O2/c1-11(18(20)23)22-17(13-7-2-3-8-14(13)19(22)24)15-10-21-16-9-5-4-6-12(15)16/h2-11,17,21H,1H3,(H2,20,23)
InChIKeyVGEWPASUAYLOSU-UHFFFAOYSA-N
XLogP2.59
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-2-[(2S)-1-hydroxypropan-2-yl]-3-(1H-indol-3-yl)-3H-isoindol-1-one
CID 7341830
(3R)-3-(1H-indol-3-yl)-2-[(1R)-1-phenylethyl]-3H-isoindol-1-one
CID 41031632
(3R)-3-(1H-indol-3-yl)-2-[(1S)-1-phenylethyl]-3H-isoindol-1-one
CID 41031631
(2R)-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(2-methoxyethyl)propanamide
CID 41168499
(2S)-N-[2-(diethylamino)ethyl]-2-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
CID 40575761
(2R)-N-[2-(diethylamino)ethyl]-2-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide
CID 40575753
N-(2-amino-2-oxoethyl)-2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-4-methylpentanamide
CID 4034929
2-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)-3H-isoindol-1-one
CID 4567476
2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N'-(4-nitrophenyl)sulfonylpropanehydrazide
CID 3992007
5-chloro-N'-[2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanoyl]-1H-indole-2-carbohydrazide
CID 5145417
3-[(1S)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N,N-dimethylpropanamide
CID 40963917
1-[6-(1H-indol-3-yl)-6H-phenanthridin-5-yl]-2-methylpropan-1-one
CID 23118670

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide?
The IUPAC name of 2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide (CID 4575435) is 2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide.
What is the SMILES notation for 2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide?
The canonical SMILES for 2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide is CC(C(N)=O)N1C(=O)c2ccccc2C1c1c[nH]c2ccccc12.
What is the InChIKey of 2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide?
The InChIKey is VGEWPASUAYLOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-11(18(20)23)22-17(13-7-2-3-8-14(13)19(22)24)15-10-21-16-9-5-4-6-12(15)16/h2-11,17,21H,1H3,(H2,20,23).
What are the key properties of 2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide?
2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide has a molecular weight of 319.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide is sourced from PubChem (CID 4575435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).