N-[2-(3,4-dichlorophenyl)propan-2-yl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

C21H20Cl2N2O3 — CID 49149193

IUPACN-[2-(3,4-dichlorophenyl)propan-2-yl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESCC(C)(NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H20Cl2N2O3/c1-21(2,15-7-8-16(22)17(23)11-15)24-20(28)14-5-3-13(4-6-14)12-25-18(26)9-10-19(25)27/h3-8,11H,9-10,12H2,1-2H3,(H,24,28)
InChIKeyBANOQNGLFKFRED-UHFFFAOYSA-N
MW419.31 g/mol
LogP4.31
Rot. Bonds5

About N-[2-(3,4-dichlorophenyl)propan-2-yl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

N-[2-(3,4-dichlorophenyl)propan-2-yl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 49149193) has the molecular formula C21H20Cl2N2O3 and a molecular weight of 419.31 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)propan-2-yl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)propan-2-yl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
PubChem CID49149193
Molecular FormulaC21H20Cl2N2O3
Molecular Weight419.31 g/mol
Exact Mass418.09
IUPAC NameN-[2-(3,4-dichlorophenyl)propan-2-yl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESCC(C)(NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H20Cl2N2O3/c1-21(2,15-7-8-16(22)17(23)11-15)24-20(28)14-5-3-13(4-6-14)12-25-18(26)9-10-19(25)27/h3-8,11H,9-10,12H2,1-2H3,(H,24,28)
InChIKeyBANOQNGLFKFRED-UHFFFAOYSA-N
XLogP4.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 38956339
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide
CID 24641200
N-(2-acetamido-5-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 47086337
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(methylamino)propyl]benzamide
CID 119431505
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide
CID 51195030
N-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 119641489
N-[2-(3,4-dichlorophenyl)propan-2-yl]-3-methylsulfonylbenzamide
CID 49334241
4-[(2,7-dioxoazepan-1-yl)methyl]benzoic acid
CID 43446723
N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55596850
N-(1,3-benzodioxol-5-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27648532
N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17467880
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 18202917

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)propan-2-yl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)propan-2-yl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (CID 49149193) is N-[2-(3,4-dichlorophenyl)propan-2-yl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)propan-2-yl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)propan-2-yl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is CC(C)(NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)propan-2-yl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is BANOQNGLFKFRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O3/c1-21(2,15-7-8-16(22)17(23)11-15)24-20(28)14-5-3-13(4-6-14)12-25-18(26)9-10-19(25)27/h3-8,11H,9-10,12H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(3,4-dichlorophenyl)propan-2-yl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
N-[2-(3,4-dichlorophenyl)propan-2-yl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 419.31 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)propan-2-yl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 49149193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).