4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)oxolane-3-carboxamide

C13H14ClN3O3 — CID 66240426

IUPAC4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)Nc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C13H14ClN3O3/c14-8-3-10-6(2-12(18)16-10)1-11(8)17-13(19)7-4-20-5-9(7)15/h1,3,7,9H,2,4-5,15H2,(H,16,18)(H,17,19)
InChIKeyZJSYMNIFEJUYLV-UHFFFAOYSA-N
MW295.73 g/mol
LogP0.75
Rot. Bonds2

About 4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)oxolane-3-carboxamide

4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)oxolane-3-carboxamide (PubChem CID 66240426) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)oxolane-3-carboxamide
PubChem CID66240426
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)Nc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C13H14ClN3O3/c14-8-3-10-6(2-12(18)16-10)1-11(8)17-13(19)7-4-20-5-9(7)15/h1,3,7,9H,2,4-5,15H2,(H,16,18)(H,17,19)
InChIKeyZJSYMNIFEJUYLV-UHFFFAOYSA-N
XLogP0.75
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)oxolane-3-carboxamide (CID 66240426) is 4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)oxolane-3-carboxamide is NC1COCC1C(=O)Nc1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)oxolane-3-carboxamide?
The InChIKey is ZJSYMNIFEJUYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c14-8-3-10-6(2-12(18)16-10)1-11(8)17-13(19)7-4-20-5-9(7)15/h1,3,7,9H,2,4-5,15H2,(H,16,18)(H,17,19).
What are the key properties of 4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)oxolane-3-carboxamide?
4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)oxolane-3-carboxamide has a molecular weight of 295.73 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)oxolane-3-carboxamide is sourced from PubChem (CID 66240426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).