2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-propylamino]-N-methylacetamide

C14H18ClN3O3 — CID 79341794

IUPAC2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C14H18ClN3O3/c1-3-4-18(7-12(19)16-2)11-6-10-8(5-9(11)15)13(20)14(21)17-10/h5-6,13,20H,3-4,7H2,1-2H3,(H,16,19)(H,17,21)
InChIKeyDBAMWXROTJUKBN-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.29
Rot. Bonds5

About 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-propylamino]-N-methylacetamide

2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-propylamino]-N-methylacetamide (PubChem CID 79341794) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-propylamino]-N-methylacetamide
PubChem CID79341794
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C14H18ClN3O3/c1-3-4-18(7-12(19)16-2)11-6-10-8(5-9(11)15)13(20)14(21)17-10/h5-6,13,20H,3-4,7H2,1-2H3,(H,16,19)(H,17,21)
InChIKeyDBAMWXROTJUKBN-UHFFFAOYSA-N
XLogP1.29
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-propylamino]-N-methylacetamide (CID 79341794) is 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)c1cc2c(cc1Cl)C(O)C(=O)N2.
What is the InChIKey of 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-propylamino]-N-methylacetamide?
The InChIKey is DBAMWXROTJUKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-3-4-18(7-12(19)16-2)11-6-10-8(5-9(11)15)13(20)14(21)17-10/h5-6,13,20H,3-4,7H2,1-2H3,(H,16,19)(H,17,21).
What are the key properties of 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-propylamino]-N-methylacetamide?
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-propylamino]-N-methylacetamide has a molecular weight of 311.77 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-propylamino]-N-methylacetamide is sourced from PubChem (CID 79341794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).