N-[4-[4-chloro-1-[2-(4-chlorophenyl)ethyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide

C20H16Cl2N2O3 — CID 110583537

IUPACN-[4-[4-chloro-1-[2-(4-chlorophenyl)ethyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(Cl)C(=O)N(CCc3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C20H16Cl2N2O3/c1-12(25)23-16-8-4-14(5-9-16)17-18(22)20(27)24(19(17)26)11-10-13-2-6-15(21)7-3-13/h2-9H,10-11H2,1H3,(H,23,25)
InChIKeyOMKKGDIKCBJMER-UHFFFAOYSA-N
MW403.27 g/mol
LogP3.86
Rot. Bonds5

About N-[4-[4-chloro-1-[2-(4-chlorophenyl)ethyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide

N-[4-[4-chloro-1-[2-(4-chlorophenyl)ethyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110583537) has the molecular formula C20H16Cl2N2O3 and a molecular weight of 403.27 g/mol. Its IUPAC name is N-[4-[4-chloro-1-[2-(4-chlorophenyl)ethyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-chloro-1-[2-(4-chlorophenyl)ethyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110583537
Molecular FormulaC20H16Cl2N2O3
Molecular Weight403.27 g/mol
Exact Mass402.05
IUPAC NameN-[4-[4-chloro-1-[2-(4-chlorophenyl)ethyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(Cl)C(=O)N(CCc3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C20H16Cl2N2O3/c1-12(25)23-16-8-4-14(5-9-16)17-18(22)20(27)24(19(17)26)11-10-13-2-6-15(21)7-3-13/h2-9H,10-11H2,1H3,(H,23,25)
InChIKeyOMKKGDIKCBJMER-UHFFFAOYSA-N
XLogP3.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 53.86
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

N-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide
CID 110583553
N-[4-[4-chloro-1-(3,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110583595
3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110569152
4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide
CID 110584213
3-chloro-1-[2-(4-chlorophenyl)ethyl]-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
CID 110583929
N-[4-[4-(4-chlorophenyl)sulfanyl-2,5-dioxo-1-prop-2-enylpyrrol-3-yl]phenyl]acetamide
CID 110563058
N-[4-(1-butyl-4-hydroxy-2,5-dioxopyrrol-3-yl)phenyl]acetamide
CID 110581319
3-(4-chlorophenyl)-4-(4-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110599049
3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione
CID 163112984
N-[4-(4-ethylsulfanyl-2,5-dioxo-1-propylpyrrol-3-yl)phenyl]acetamide
CID 110562641
3-chloro-4-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110584186
3-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethylsulfanyl)pyrrole-2,5-dione
CID 110569177

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-chloro-1-[2-(4-chlorophenyl)ethyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-chloro-1-[2-(4-chlorophenyl)ethyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110583537) is N-[4-[4-chloro-1-[2-(4-chlorophenyl)ethyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-chloro-1-[2-(4-chlorophenyl)ethyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-chloro-1-[2-(4-chlorophenyl)ethyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=C(Cl)C(=O)N(CCc3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of N-[4-[4-chloro-1-[2-(4-chlorophenyl)ethyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is OMKKGDIKCBJMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O3/c1-12(25)23-16-8-4-14(5-9-16)17-18(22)20(27)24(19(17)26)11-10-13-2-6-15(21)7-3-13/h2-9H,10-11H2,1H3,(H,23,25).
What are the key properties of N-[4-[4-chloro-1-[2-(4-chlorophenyl)ethyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[4-chloro-1-[2-(4-chlorophenyl)ethyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 403.27 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-chloro-1-[2-(4-chlorophenyl)ethyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110583537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).