2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide

C14H16ClN3O2 — CID 116675395

IUPAC2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide
SMILESCC(C(=O)Nc1cc2c(cc1Cl)NC(=O)C2)C1CNC1
InChIInChI=1S/C14H16ClN3O2/c1-7(9-5-16-6-9)14(20)18-12-2-8-3-13(19)17-11(8)4-10(12)15/h2,4,7,9,16H,3,5-6H2,1H3,(H,17,19)(H,18,20)
InChIKeyVJAFAOKWCXCXKQ-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.63
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide

2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide (PubChem CID 116675395) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide
PubChem CID116675395
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide
SMILESCC(C(=O)Nc1cc2c(cc1Cl)NC(=O)C2)C1CNC1
InChIInChI=1S/C14H16ClN3O2/c1-7(9-5-16-6-9)14(20)18-12-2-8-3-13(19)17-11(8)4-10(12)15/h2,4,7,9,16H,3,5-6H2,1H3,(H,17,19)(H,18,20)
InChIKeyVJAFAOKWCXCXKQ-UHFFFAOYSA-N
XLogP1.63
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methylbutanamide
CID 80543293
2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-methylpentanamide
CID 43704875
N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-hydroxypentanamide
CID 79200976
2-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)butanediamide
CID 60848687
6-chloro-5-(1-cyclopentylethylamino)-1,3-dihydroindol-2-one
CID 62633530
1-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)cyclopropane-1-carboxamide
CID 65464008
N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-piperidin-3-ylacetamide
CID 62676310
6-chloro-5-[1-(1-methylpiperidin-4-yl)ethylamino]-1,3-dihydroindol-2-one
CID 43691672
3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 60849399
N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61273589
4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)oxolane-3-carboxamide
CID 66240426
methyl 2-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]butanoate
CID 115352612

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide (CID 116675395) is 2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide is CC(C(=O)Nc1cc2c(cc1Cl)NC(=O)C2)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide?
The InChIKey is VJAFAOKWCXCXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-7(9-5-16-6-9)14(20)18-12-2-8-3-13(19)17-11(8)4-10(12)15/h2,4,7,9,16H,3,5-6H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide?
2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide has a molecular weight of 293.75 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide is sourced from PubChem (CID 116675395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).