N-(2-chlorophenyl)-2-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide

C21H22ClN3O3 — CID 42887670

IUPACN-(2-chlorophenyl)-2-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide
SMILESCc1ccc(N2C(=O)CC(N(C)CC(=O)Nc3ccccc3Cl)C2=O)c(C)c1
InChIInChI=1S/C21H22ClN3O3/c1-13-8-9-17(14(2)10-13)25-20(27)11-18(21(25)28)24(3)12-19(26)23-16-7-5-4-6-15(16)22/h4-10,18H,11-12H2,1-3H3,(H,23,26)
InChIKeyDVMOMUBJHODSRZ-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.16
Rot. Bonds5

About N-(2-chlorophenyl)-2-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide

N-(2-chlorophenyl)-2-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide (PubChem CID 42887670) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide
PubChem CID42887670
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC NameN-(2-chlorophenyl)-2-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide
SMILESCc1ccc(N2C(=O)CC(N(C)CC(=O)Nc3ccccc3Cl)C2=O)c(C)c1
InChIInChI=1S/C21H22ClN3O3/c1-13-8-9-17(14(2)10-13)25-20(27)11-18(21(25)28)24(3)12-19(26)23-16-7-5-4-6-15(16)22/h4-10,18H,11-12H2,1-3H3,(H,23,26)
InChIKeyDVMOMUBJHODSRZ-UHFFFAOYSA-N
XLogP3.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-2-[methyl-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetamide
CID 41389517
N-(2-chlorophenyl)-2-[[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide
CID 42935027
N-(2,3-dimethylphenyl)-2-[[(3S)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide
CID 41389974
N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242
N-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1203982
N-(2-chlorophenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 7799529
N-[2-(1-adamantyl)ethyl]-N-[(3R)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 7288984
1-N-(2-chlorophenyl)-2-N-(2,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141508
N-(2-chlorophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260612
N-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide
CID 51109549
2-[[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]methyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 11924414
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 9145607

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide (CID 42887670) is N-(2-chlorophenyl)-2-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide is Cc1ccc(N2C(=O)CC(N(C)CC(=O)Nc3ccccc3Cl)C2=O)c(C)c1.
What is the InChIKey of N-(2-chlorophenyl)-2-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide?
The InChIKey is DVMOMUBJHODSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-13-8-9-17(14(2)10-13)25-20(27)11-18(21(25)28)24(3)12-19(26)23-16-7-5-4-6-15(16)22/h4-10,18H,11-12H2,1-3H3,(H,23,26).
What are the key properties of N-(2-chlorophenyl)-2-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide?
N-(2-chlorophenyl)-2-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide has a molecular weight of 399.88 g/mol, XLogP of 3.16, 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-[[1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-methylamino]acetamide is sourced from PubChem (CID 42887670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).