2-[[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide

C21H22ClN3O4 — CID 98400376

IUPAC2-[[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C21H22ClN3O4/c1-24(13-19(26)23-16-10-15(22)8-9-18(16)29-2)17-11-20(27)25(21(17)28)12-14-6-4-3-5-7-14/h3-10,17H,11-13H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyWBTHELOPGGTVFK-QGZVFWFLSA-N
MW415.88 g/mol
LogP2.55
Rot. Bonds7

About 2-[[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide

2-[[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 98400376) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is 2-[[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID98400376
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC Name2-[[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C21H22ClN3O4/c1-24(13-19(26)23-16-10-15(22)8-9-18(16)29-2)17-11-20(27)25(21(17)28)12-14-6-4-3-5-7-14/h3-10,17H,11-13H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyWBTHELOPGGTVFK-QGZVFWFLSA-N
XLogP2.55
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(5-chloro-2-methoxyphenyl)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

N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261077
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 8581219
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]amino]acetamide
CID 8005781
cis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide
CID 158550362
2-[[2-[benzyl(ethyl)amino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 8563570
N-benzyl-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 51167337
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9413480
(3S)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7860754
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
N-(5-chloro-2-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 2947640
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxoazepan-1-yl)acetamide
CID 9317785

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-[[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide (CID 98400376) is 2-[[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 2-[[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is WBTHELOPGGTVFK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-24(13-19(26)23-16-10-15(22)8-9-18(16)29-2)17-11-20(27)25(21(17)28)12-14-6-4-3-5-7-14/h3-10,17H,11-13H2,1-2H3,(H,23,26)/t17-/m1/s1.
What are the key properties of 2-[[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
2-[[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 415.88 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 98400376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).