5-(4-chloroanilino)-3-hydroxy-3-(3-methylbutyl)-1H-indol-2-one

C19H21ClN2O2 — CID 141465848

IUPAC5-(4-chloroanilino)-3-hydroxy-3-(3-methylbutyl)-1H-indol-2-one
SMILESCC(C)CCC1(O)C(=O)Nc2ccc(Nc3ccc(Cl)cc3)cc21
InChIInChI=1S/C19H21ClN2O2/c1-12(2)9-10-19(24)16-11-15(7-8-17(16)22-18(19)23)21-14-5-3-13(20)4-6-14/h3-8,11-12,21,24H,9-10H2,1-2H3,(H,22,23)
InChIKeyIEPAWZUWLDTNFO-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.66
Rot. Bonds5

About 5-(4-chloroanilino)-3-hydroxy-3-(3-methylbutyl)-1H-indol-2-one

5-(4-chloroanilino)-3-hydroxy-3-(3-methylbutyl)-1H-indol-2-one (PubChem CID 141465848) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 5-(4-chloroanilino)-3-hydroxy-3-(3-methylbutyl)-1H-indol-2-one.

Molecular Properties

Compound Name5-(4-chloroanilino)-3-hydroxy-3-(3-methylbutyl)-1H-indol-2-one
PubChem CID141465848
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name5-(4-chloroanilino)-3-hydroxy-3-(3-methylbutyl)-1H-indol-2-one
SMILESCC(C)CCC1(O)C(=O)Nc2ccc(Nc3ccc(Cl)cc3)cc21
InChIInChI=1S/C19H21ClN2O2/c1-12(2)9-10-19(24)16-11-15(7-8-17(16)22-18(19)23)21-14-5-3-13(20)4-6-14/h3-8,11-12,21,24H,9-10H2,1-2H3,(H,22,23)
InChIKeyIEPAWZUWLDTNFO-UHFFFAOYSA-N
XLogP4.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(4-chloroanilino)-3-hydroxy-3-(3-methylbutyl)-1H-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 5-(4-chloroanilino)-3-hydroxy-3-(3-methylbutyl)-1H-indol-2-one?
The IUPAC name of 5-(4-chloroanilino)-3-hydroxy-3-(3-methylbutyl)-1H-indol-2-one (CID 141465848) is 5-(4-chloroanilino)-3-hydroxy-3-(3-methylbutyl)-1H-indol-2-one.
What is the SMILES notation for 5-(4-chloroanilino)-3-hydroxy-3-(3-methylbutyl)-1H-indol-2-one?
The canonical SMILES for 5-(4-chloroanilino)-3-hydroxy-3-(3-methylbutyl)-1H-indol-2-one is CC(C)CCC1(O)C(=O)Nc2ccc(Nc3ccc(Cl)cc3)cc21.
What is the InChIKey of 5-(4-chloroanilino)-3-hydroxy-3-(3-methylbutyl)-1H-indol-2-one?
The InChIKey is IEPAWZUWLDTNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-12(2)9-10-19(24)16-11-15(7-8-17(16)22-18(19)23)21-14-5-3-13(20)4-6-14/h3-8,11-12,21,24H,9-10H2,1-2H3,(H,22,23).
What are the key properties of 5-(4-chloroanilino)-3-hydroxy-3-(3-methylbutyl)-1H-indol-2-one?
5-(4-chloroanilino)-3-hydroxy-3-(3-methylbutyl)-1H-indol-2-one has a molecular weight of 344.84 g/mol, XLogP of 4.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloroanilino)-3-hydroxy-3-(3-methylbutyl)-1H-indol-2-one is sourced from PubChem (CID 141465848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).