N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

C20H18ClN3O4 — CID 47086337

IUPACN-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESCC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C20H18ClN3O4/c1-12(25)22-16-7-6-15(21)10-17(16)23-20(28)14-4-2-13(3-5-14)11-24-18(26)8-9-19(24)27/h2-7,10H,8-9,11H2,1H3,(H,22,25)(H,23,28)
InChIKeyDSVALVFYBFZPKG-UHFFFAOYSA-N
MW399.83 g/mol
LogP3.20
Rot. Bonds5

About N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 47086337) has the molecular formula C20H18ClN3O4 and a molecular weight of 399.83 g/mol. Its IUPAC name is N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
PubChem CID47086337
Molecular FormulaC20H18ClN3O4
Molecular Weight399.83 g/mol
Exact Mass399.10
IUPAC NameN-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESCC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C20H18ClN3O4/c1-12(25)22-16-7-6-15(21)10-17(16)23-20(28)14-4-2-13(3-5-14)11-24-18(26)8-9-19(24)27/h2-7,10H,8-9,11H2,1H3,(H,22,25)(H,23,28)
InChIKeyDSVALVFYBFZPKG-UHFFFAOYSA-N
XLogP3.20
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-pyrrol-1-ylphenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 56530350
4-chloro-3-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 38956339
N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17498612
N-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 39166499
N-(2,5-dichlorophenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 28633234
N-(4-acetamido-3-chlorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 25471176
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 39277380
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 48666981
N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17467880
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide
CID 24641200
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 55787869
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27781558

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (CID 47086337) is N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is DSVALVFYBFZPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4/c1-12(25)22-16-7-6-15(21)10-17(16)23-20(28)14-4-2-13(3-5-14)11-24-18(26)8-9-19(24)27/h2-7,10H,8-9,11H2,1H3,(H,22,25)(H,23,28).
What are the key properties of N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 399.83 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 47086337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).