6-[butan-2-yl(butyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one

C16H23ClN2O2 — CID 79341801

IUPAC6-[butan-2-yl(butyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCCCN(c1cc2c(cc1Cl)C(O)C(=O)N2)C(C)CC
InChIInChI=1S/C16H23ClN2O2/c1-4-6-7-19(10(3)5-2)14-9-13-11(8-12(14)17)15(20)16(21)18-13/h8-10,15,20H,4-7H2,1-3H3,(H,18,21)
InChIKeyPFYHMPBFSKRUML-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.73
Rot. Bonds6

About 6-[butan-2-yl(butyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one

6-[butan-2-yl(butyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 79341801) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 6-[butan-2-yl(butyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[butan-2-yl(butyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID79341801
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name6-[butan-2-yl(butyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCCCN(c1cc2c(cc1Cl)C(O)C(=O)N2)C(C)CC
InChIInChI=1S/C16H23ClN2O2/c1-4-6-7-19(10(3)5-2)14-9-13-11(8-12(14)17)15(20)16(21)18-13/h8-10,15,20H,4-7H2,1-3H3,(H,18,21)
InChIKeyPFYHMPBFSKRUML-UHFFFAOYSA-N
XLogP3.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[butan-2-yl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336894
6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336345
5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
CID 79336490
5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one
CID 79336757
5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one
CID 79336624
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)-propylamino]-N-methylacetamide
CID 79341794
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(2-methylpropyl)amino]acetamide
CID 79341806
6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79345018
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(cyanomethyl)amino]acetonitrile
CID 79336274
5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
CID 79349532
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-ethylacetamide
CID 79336139

Frequently Asked Questions

What is the IUPAC name of 6-[butan-2-yl(butyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[butan-2-yl(butyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one (CID 79341801) is 6-[butan-2-yl(butyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[butan-2-yl(butyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[butan-2-yl(butyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one is CCCCN(c1cc2c(cc1Cl)C(O)C(=O)N2)C(C)CC.
What is the InChIKey of 6-[butan-2-yl(butyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is PFYHMPBFSKRUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-4-6-7-19(10(3)5-2)14-9-13-11(8-12(14)17)15(20)16(21)18-13/h8-10,15,20H,4-7H2,1-3H3,(H,18,21).
What are the key properties of 6-[butan-2-yl(butyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one?
6-[butan-2-yl(butyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 310.83 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butan-2-yl(butyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79341801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).