N-(2-chlorophenyl)-2-[methyl-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetamide

C20H20ClN3O3 — CID 41389517

IUPACN-(2-chlorophenyl)-2-[methyl-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetamide
SMILESCc1ccccc1N1C(=O)C[C@@H](N(C)CC(=O)Nc2ccccc2Cl)C1=O
InChIInChI=1S/C20H20ClN3O3/c1-13-7-3-6-10-16(13)24-19(26)11-17(20(24)27)23(2)12-18(25)22-15-9-5-4-8-14(15)21/h3-10,17H,11-12H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyULVNSXPJYROHNR-QGZVFWFLSA-N
MW385.85 g/mol
LogP2.85
Rot. Bonds5

About N-(2-chlorophenyl)-2-[methyl-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetamide

N-(2-chlorophenyl)-2-[methyl-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetamide (PubChem CID 41389517) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[methyl-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[methyl-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetamide
PubChem CID41389517
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-(2-chlorophenyl)-2-[methyl-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetamide
SMILESCc1ccccc1N1C(=O)C[C@@H](N(C)CC(=O)Nc2ccccc2Cl)C1=O
InChIInChI=1S/C20H20ClN3O3/c1-13-7-3-6-10-16(13)24-19(26)11-17(20(24)27)23(2)12-18(25)22-15-9-5-4-8-14(15)21/h3-10,17H,11-12H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyULVNSXPJYROHNR-QGZVFWFLSA-N
XLogP2.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[methyl-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[methyl-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetamide (CID 41389517) is N-(2-chlorophenyl)-2-[methyl-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[methyl-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[methyl-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetamide is Cc1ccccc1N1C(=O)C[C@@H](N(C)CC(=O)Nc2ccccc2Cl)C1=O.
What is the InChIKey of N-(2-chlorophenyl)-2-[methyl-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetamide?
The InChIKey is ULVNSXPJYROHNR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-13-7-3-6-10-16(13)24-19(26)11-17(20(24)27)23(2)12-18(25)22-15-9-5-4-8-14(15)21/h3-10,17H,11-12H2,1-2H3,(H,22,25)/t17-/m1/s1.
What are the key properties of N-(2-chlorophenyl)-2-[methyl-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetamide?
N-(2-chlorophenyl)-2-[methyl-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetamide has a molecular weight of 385.85 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[methyl-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetamide is sourced from PubChem (CID 41389517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).