2-[[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide

C20H19ClN2O3 — CID 122226615

IUPAC2-[[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide
SMILESC=C(C[C@@]1(O)C(=O)N(C)c2ccc(Cl)cc21)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H19ClN2O3/c1-12-4-7-15(8-5-12)22-18(24)13(2)11-20(26)16-10-14(21)6-9-17(16)23(3)19(20)25/h4-10,26H,2,11H2,1,3H3,(H,22,24)/t20-/m0/s1
InChIKeySXXUOOLLWCSIKK-FQEVSTJZSA-N
MW370.84 g/mol
LogP3.40
Rot. Bonds4

About 2-[[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide

2-[[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide (PubChem CID 122226615) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-[[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide
PubChem CID122226615
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name2-[[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide
SMILESC=C(C[C@@]1(O)C(=O)N(C)c2ccc(Cl)cc21)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H19ClN2O3/c1-12-4-7-15(8-5-12)22-18(24)13(2)11-20(26)16-10-14(21)6-9-17(16)23(3)19(20)25/h4-10,26H,2,11H2,1,3H3,(H,22,24)/t20-/m0/s1
InChIKeySXXUOOLLWCSIKK-FQEVSTJZSA-N
XLogP3.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide 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

2-[[(3S)-5-bromo-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide
CID 122226619
2-[[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-phenylprop-2-enamide
CID 132838977
(3R)-5-chloro-3-hydroxy-1-methyl-3-prop-2-enylindol-2-one
CID 102579900
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one
CID 1259023
(3S)-5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 888881
(3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 7282002
(3R)-5-bromo-3-hydroxy-1-methyl-3-(2-methylprop-2-enyl)indol-2-one
CID 102579901
(3R)-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
CID 7013982
(3S)-5-chloro-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]-1-[(4-methylphenyl)methyl]indol-2-one
CID 92853040
(3S)-3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-5-chloro-3-hydroxy-1-methylindol-2-one
CID 7281997
2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 102474299

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide?
The IUPAC name of 2-[[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide (CID 122226615) is 2-[[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for 2-[[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for 2-[[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide is C=C(C[C@@]1(O)C(=O)N(C)c2ccc(Cl)cc21)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide?
The InChIKey is SXXUOOLLWCSIKK-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-12-4-7-15(8-5-12)22-18(24)13(2)11-20(26)16-10-14(21)6-9-17(16)23(3)19(20)25/h4-10,26H,2,11H2,1,3H3,(H,22,24)/t20-/m0/s1.
What are the key properties of 2-[[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide?
2-[[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide has a molecular weight of 370.84 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 122226615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).