2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide

C23H25ClN2O4 — CID 35342822

IUPAC2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c(C(C)C)cc1Cl
InChIInChI=1S/C23H25ClN2O4/c1-14(2)18-11-19(24)15(3)10-20(18)30-13-21(27)25-17-6-4-16(5-7-17)12-26-22(28)8-9-23(26)29/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,25,27)
InChIKeyAOYVJWTYVJJYCX-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.44
Rot. Bonds7

About 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide

2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide (PubChem CID 35342822) has the molecular formula C23H25ClN2O4 and a molecular weight of 428.92 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide
PubChem CID35342822
Molecular FormulaC23H25ClN2O4
Molecular Weight428.92 g/mol
Exact Mass428.15
IUPAC Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c(C(C)C)cc1Cl
InChIInChI=1S/C23H25ClN2O4/c1-14(2)18-11-19(24)15(3)10-20(18)30-13-21(27)25-17-6-4-16(5-7-17)12-26-22(28)8-9-23(26)29/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,25,27)
InChIKeyAOYVJWTYVJJYCX-UHFFFAOYSA-N
XLogP4.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide 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-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 31060775
N-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7959173
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 4801402
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 19202385
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 7973800
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 4842618
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-methylpropanamide
CID 35341089
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 3280740
N'-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]-2,2-diphenylacetohydrazide
CID 2311623
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 75403613
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26210021
methyl 4-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 1013614

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide (CID 35342822) is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide is Cc1cc(OCC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c(C(C)C)cc1Cl.
What is the InChIKey of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide?
The InChIKey is AOYVJWTYVJJYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O4/c1-14(2)18-11-19(24)15(3)10-20(18)30-13-21(27)25-17-6-4-16(5-7-17)12-26-22(28)8-9-23(26)29/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,25,27).
What are the key properties of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide?
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide has a molecular weight of 428.92 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 35342822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).