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

C18H11Cl3N2O3 — CID 110583595

IUPACN-[4-[4-chloro-1-(3,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(Cl)C(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1
InChIInChI=1S/C18H11Cl3N2O3/c1-9(24)22-13-4-2-10(3-5-13)15-16(21)18(26)23(17(15)25)14-7-11(19)6-12(20)8-14/h2-8H,1H3,(H,22,24)
InChIKeyKJDNSTAWSULXLS-UHFFFAOYSA-N
MW409.66 g/mol
LogP4.48
Rot. Bonds3

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

N-[4-[4-chloro-1-(3,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110583595) has the molecular formula C18H11Cl3N2O3 and a molecular weight of 409.66 g/mol. Its IUPAC name is N-[4-[4-chloro-1-(3,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-chloro-1-(3,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110583595
Molecular FormulaC18H11Cl3N2O3
Molecular Weight409.66 g/mol
Exact Mass407.98
IUPAC NameN-[4-[4-chloro-1-(3,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(Cl)C(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1
InChIInChI=1S/C18H11Cl3N2O3/c1-9(24)22-13-4-2-10(3-5-13)15-16(21)18(26)23(17(15)25)14-7-11(19)6-12(20)8-14/h2-8H,1H3,(H,22,24)
InChIKeyKJDNSTAWSULXLS-UHFFFAOYSA-N
XLogP4.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.66
LogP ≤ 54.48
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-(3-chlorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110581375
N-[4-[4-chloro-1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110583591
N-[4-[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110583632
N-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide
CID 110583553
3-chloro-1-(3,5-dichlorophenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110584631
N-[4-[4-chloro-1-[2-(4-chlorophenyl)ethyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110583537
N-[4-[3-(4-chlorophenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]phenyl]acetamide
CID 110570969
N-[4-[4-hydroxy-2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrol-3-yl]phenyl]acetamide
CID 110581400
1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110582019
N-[4-[1-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563474
N-[4-[3-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110570965
3-chloro-1-(3,4-dichlorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584245

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-chloro-1-(3,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-chloro-1-(3,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110583595) is N-[4-[4-chloro-1-(3,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-chloro-1-(3,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-chloro-1-(3,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=C(Cl)C(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1.
What is the InChIKey of N-[4-[4-chloro-1-(3,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is KJDNSTAWSULXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl3N2O3/c1-9(24)22-13-4-2-10(3-5-13)15-16(21)18(26)23(17(15)25)14-7-11(19)6-12(20)8-14/h2-8H,1H3,(H,22,24).
What are the key properties of N-[4-[4-chloro-1-(3,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[4-chloro-1-(3,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 409.66 g/mol, XLogP of 4.48, 3 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-(3,5-dichlorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110583595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).