5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one

C16H14BrClN2O — CID 43094852

IUPAC5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one
SMILESCC(NC1C(=O)Nc2ccc(Br)cc21)c1ccccc1Cl
InChIInChI=1S/C16H14BrClN2O/c1-9(11-4-2-3-5-13(11)18)19-15-12-8-10(17)6-7-14(12)20-16(15)21/h2-9,15,19H,1H3,(H,20,21)
InChIKeyNYRSSWYNXIFDQY-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.45
Rot. Bonds3

About 5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one

5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one (PubChem CID 43094852) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is 5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one
PubChem CID43094852
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one
SMILESCC(NC1C(=O)Nc2ccc(Br)cc21)c1ccccc1Cl
InChIInChI=1S/C16H14BrClN2O/c1-9(11-4-2-3-5-13(11)18)19-15-12-8-10(17)6-7-14(12)20-16(15)21/h2-9,15,19H,1H3,(H,20,21)
InChIKeyNYRSSWYNXIFDQY-UHFFFAOYSA-N
XLogP4.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3-[1-(2-chlorophenyl)ethylamino]-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

3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one
CID 43108405
3-[1-(2-bromophenyl)ethylamino]-5-chloro-1,3-dihydroindol-2-one
CID 43680023
5-bromo-3-[1-(3-bromophenyl)ethylamino]-1,3-dihydroindol-2-one
CID 43673277
5-bromo-3-[1-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one
CID 43201955
5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43190207
5-bromo-3-(1-methoxypropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43191810
5-chloro-3-(1-thiophen-2-ylethylamino)-1,3-dihydroindol-2-one
CID 43206055
N-[2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethyl]-2-methylpropanamide
CID 43202942
3-(4-bromo-2-chloroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43347233
3-anilino-6-bromo-1,3-dihydroindol-2-one
CID 43190041
6-bromo-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-dihydroindol-2-one
CID 43703115
3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634204

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one (CID 43094852) is 5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one is CC(NC1C(=O)Nc2ccc(Br)cc21)c1ccccc1Cl.
What is the InChIKey of 5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one?
The InChIKey is NYRSSWYNXIFDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c1-9(11-4-2-3-5-13(11)18)19-15-12-8-10(17)6-7-14(12)20-16(15)21/h2-9,15,19H,1H3,(H,20,21).
What are the key properties of 5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one?
5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one has a molecular weight of 365.66 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43094852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).