2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(2-methylpropyl)amino]acetamide

C14H18ClN3O3 — CID 79341806

IUPAC2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C14H18ClN3O3/c1-7(2)5-18(6-12(16)19)11-4-10-8(3-9(11)15)13(20)14(21)17-10/h3-4,7,13,20H,5-6H2,1-2H3,(H2,16,19)(H,17,21)
InChIKeyKBOVEWMARLZDCU-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.27
Rot. Bonds5

About 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(2-methylpropyl)amino]acetamide

2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(2-methylpropyl)amino]acetamide (PubChem CID 79341806) 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)-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(2-methylpropyl)amino]acetamide
PubChem CID79341806
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C14H18ClN3O3/c1-7(2)5-18(6-12(16)19)11-4-10-8(3-9(11)15)13(20)14(21)17-10/h3-4,7,13,20H,5-6H2,1-2H3,(H2,16,19)(H,17,21)
InChIKeyKBOVEWMARLZDCU-UHFFFAOYSA-N
XLogP1.27
TPSA95.66 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 ≤ 51.27
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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Related Compounds

5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one
CID 79336757
5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
CID 79336490
6-[butan-2-yl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336894
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-propylamino]-N-methylacetamide
CID 79341794
6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79345018
5-chloro-6-[ethyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 79336625
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(cyanomethyl)amino]acetonitrile
CID 79336274
6-[ethyl(2-methylpropyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80758142
6-[butan-2-yl(butyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79341801
5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one
CID 79336624
2-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]acetamide
CID 80758675
2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-butylamino]acetamide
CID 79343927

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(2-methylpropyl)amino]acetamide (CID 79341806) is 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)c1cc2c(cc1Cl)C(O)C(=O)N2.
What is the InChIKey of 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(2-methylpropyl)amino]acetamide?
The InChIKey is KBOVEWMARLZDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-7(2)5-18(6-12(16)19)11-4-10-8(3-9(11)15)13(20)14(21)17-10/h3-4,7,13,20H,5-6H2,1-2H3,(H2,16,19)(H,17,21).
What are the key properties of 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(2-methylpropyl)amino]acetamide?
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(2-methylpropyl)amino]acetamide has a molecular weight of 311.77 g/mol, XLogP of 1.27, 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)-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 79341806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).