7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one

C12H15ClN2O — CID 82190651

IUPAC7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one
SMILESNCCCCc1cc(Cl)cc2c1NC(=O)C2
InChIInChI=1S/C12H15ClN2O/c13-10-5-8(3-1-2-4-14)12-9(6-10)7-11(16)15-12/h5-6H,1-4,7,14H2,(H,15,16)
InChIKeyMAOFIUDYFYYFTO-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.12
Rot. Bonds4

About 7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one

7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one (PubChem CID 82190651) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one
PubChem CID82190651
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one
SMILESNCCCCc1cc(Cl)cc2c1NC(=O)C2
InChIInChI=1S/C12H15ClN2O/c13-10-5-8(3-1-2-4-14)12-9(6-10)7-11(16)15-12/h5-6H,1-4,7,14H2,(H,15,16)
InChIKeyMAOFIUDYFYYFTO-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(4-aminobutyl)-6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 82190820
7-(2-aminoethyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190531
5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one
CID 82190727
7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one
CID 117318863
3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid
CID 115003616
7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one
CID 117416069
7-(2-aminoethyl)-1,3-dihydroindol-2-one
CID 82410863
7-(aminomethyl)-5-bromo-1,3-dihydroindol-2-one
CID 82190668
7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 82190628
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)butan-1-amine
CID 117352257
7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one
CID 82173346

Frequently Asked Questions

What is the IUPAC name of 7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one (CID 82190651) is 7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one is NCCCCc1cc(Cl)cc2c1NC(=O)C2.
What is the InChIKey of 7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one?
The InChIKey is MAOFIUDYFYYFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-10-5-8(3-1-2-4-14)12-9(6-10)7-11(16)15-12/h5-6H,1-4,7,14H2,(H,15,16).
What are the key properties of 7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one?
7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one has a molecular weight of 238.72 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 82190651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).