3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione

C19H15Cl3N2O3 — CID 110570769

IUPAC3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
SMILESCN(CCO)C1=C(c2ccc(Cl)cc2)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C19H15Cl3N2O3/c1-23(8-9-25)17-16(11-2-4-12(20)5-3-11)18(26)24(19(17)27)13-6-7-14(21)15(22)10-13/h2-7,10,25H,8-9H2,1H3
InChIKeyRXJWRHRHMGWRKS-UHFFFAOYSA-N
MW425.70 g/mol
LogP3.86
Rot. Bonds5

About 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione

3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione (PubChem CID 110570769) has the molecular formula C19H15Cl3N2O3 and a molecular weight of 425.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
PubChem CID110570769
Molecular FormulaC19H15Cl3N2O3
Molecular Weight425.70 g/mol
Exact Mass424.01
IUPAC Name3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
SMILESCN(CCO)C1=C(c2ccc(Cl)cc2)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C19H15Cl3N2O3/c1-23(8-9-25)17-16(11-2-4-12(20)5-3-11)18(26)24(19(17)27)13-6-7-14(21)15(22)10-13/h2-7,10,25H,8-9H2,1H3
InChIKeyRXJWRHRHMGWRKS-UHFFFAOYSA-N
XLogP3.86
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.70
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574379
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
1-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-phenylpyrrole-2,5-dione
CID 110562167
1-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110549801
3-(4-chlorophenyl)-1-(2-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110570518
3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110574540
3-(4-chlorophenyl)-1-ethyl-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110569652
1-(3-bromophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573314
1-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110545509
1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110571769
1-(5-chloro-2-methylphenyl)-3-(3,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110549891

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione (CID 110570769) is 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione is CN(CCO)C1=C(c2ccc(Cl)cc2)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione?
The InChIKey is RXJWRHRHMGWRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N2O3/c1-23(8-9-25)17-16(11-2-4-12(20)5-3-11)18(26)24(19(17)27)13-6-7-14(21)15(22)10-13/h2-7,10,25H,8-9H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione?
3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione has a molecular weight of 425.70 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione is sourced from PubChem (CID 110570769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).