3-amino-5-chloro-1-(2-phenylethyl)-3H-indol-2-one

C16H15ClN2O — CID 43254915

IUPAC3-amino-5-chloro-1-(2-phenylethyl)-3H-indol-2-one
SMILESNC1C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C16H15ClN2O/c17-12-6-7-14-13(10-12)15(18)16(20)19(14)9-8-11-4-2-1-3-5-11/h1-7,10,15H,8-9,18H2
InChIKeyHCNCOBAQBRNSGN-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.93
Rot. Bonds3

About 3-amino-5-chloro-1-(2-phenylethyl)-3H-indol-2-one

3-amino-5-chloro-1-(2-phenylethyl)-3H-indol-2-one (PubChem CID 43254915) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 3-amino-5-chloro-1-(2-phenylethyl)-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-1-(2-phenylethyl)-3H-indol-2-one
PubChem CID43254915
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name3-amino-5-chloro-1-(2-phenylethyl)-3H-indol-2-one
SMILESNC1C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C16H15ClN2O/c17-12-6-7-14-13(10-12)15(18)16(20)19(14)9-8-11-4-2-1-3-5-11/h1-7,10,15H,8-9,18H2
InChIKeyHCNCOBAQBRNSGN-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-5-chloro-1-(2-phenylethyl)-3H-indol-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

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-1-(2-phenylethyl)-3H-indol-2-one?
The IUPAC name of 3-amino-5-chloro-1-(2-phenylethyl)-3H-indol-2-one (CID 43254915) is 3-amino-5-chloro-1-(2-phenylethyl)-3H-indol-2-one.
What is the SMILES notation for 3-amino-5-chloro-1-(2-phenylethyl)-3H-indol-2-one?
The canonical SMILES for 3-amino-5-chloro-1-(2-phenylethyl)-3H-indol-2-one is NC1C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21.
What is the InChIKey of 3-amino-5-chloro-1-(2-phenylethyl)-3H-indol-2-one?
The InChIKey is HCNCOBAQBRNSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-12-6-7-14-13(10-12)15(18)16(20)19(14)9-8-11-4-2-1-3-5-11/h1-7,10,15H,8-9,18H2.
What are the key properties of 3-amino-5-chloro-1-(2-phenylethyl)-3H-indol-2-one?
3-amino-5-chloro-1-(2-phenylethyl)-3H-indol-2-one has a molecular weight of 286.76 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-1-(2-phenylethyl)-3H-indol-2-one is sourced from PubChem (CID 43254915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).