3-amino-4-chloro-1,3-dihydroindol-2-one

C8H7ClN2O — CID 82234481

IUPAC3-amino-4-chloro-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cccc(Cl)c21
InChIInChI=1S/C8H7ClN2O/c9-4-2-1-3-5-6(4)7(10)8(12)11-5/h1-3,7H,10H2,(H,11,12)
InChIKeyRDMXTPWBHNCLGF-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.29
Rot. Bonds

About 3-amino-4-chloro-1,3-dihydroindol-2-one

3-amino-4-chloro-1,3-dihydroindol-2-one (PubChem CID 82234481) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 3-amino-4-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-4-chloro-1,3-dihydroindol-2-one
PubChem CID82234481
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name3-amino-4-chloro-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cccc(Cl)c21
InChIInChI=1S/C8H7ClN2O/c9-4-2-1-3-5-6(4)7(10)8(12)11-5/h1-3,7H,10H2,(H,11,12)
InChIKeyRDMXTPWBHNCLGF-UHFFFAOYSA-N
XLogP1.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-4-chloro-1,3-dihydroindol-2-one (CID 82234481) is 3-amino-4-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-4-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-4-chloro-1,3-dihydroindol-2-one is NC1C(=O)Nc2cccc(Cl)c21.
What is the InChIKey of 3-amino-4-chloro-1,3-dihydroindol-2-one?
The InChIKey is RDMXTPWBHNCLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c9-4-2-1-3-5-6(4)7(10)8(12)11-5/h1-3,7H,10H2,(H,11,12).
What are the key properties of 3-amino-4-chloro-1,3-dihydroindol-2-one?
3-amino-4-chloro-1,3-dihydroindol-2-one has a molecular weight of 182.61 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 82234481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).