3-(2,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione

C19H21Cl2N3O3 — CID 110568508

IUPAC3-(2,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CCN(CCO)CC2)C1=O
InChIInChI=1S/C19H21Cl2N3O3/c1-2-5-24-18(26)16(14-4-3-13(20)12-15(14)21)17(19(24)27)23-8-6-22(7-9-23)10-11-25/h2-4,12,25H,1,5-11H2
InChIKeyNWNACMRZLKTZSM-UHFFFAOYSA-N
MW410.30 g/mol
LogP1.87
Rot. Bonds6

About 3-(2,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione

3-(2,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione (PubChem CID 110568508) has the molecular formula C19H21Cl2N3O3 and a molecular weight of 410.30 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione
PubChem CID110568508
Molecular FormulaC19H21Cl2N3O3
Molecular Weight410.30 g/mol
Exact Mass409.10
IUPAC Name3-(2,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CCN(CCO)CC2)C1=O
InChIInChI=1S/C19H21Cl2N3O3/c1-2-5-24-18(26)16(14-4-3-13(20)12-15(14)21)17(19(24)27)23-8-6-22(7-9-23)10-11-25/h2-4,12,25H,1,5-11H2
InChIKeyNWNACMRZLKTZSM-UHFFFAOYSA-N
XLogP1.87
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-propylpyrrole-2,5-dione
CID 110568143
3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110568175
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-prop-2-enyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577092
1-benzyl-3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568058
3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110568370
3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110568398
1-[(2-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110578138
1-[(4-chlorophenyl)methyl]-3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565474
1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110543154
1-[(4-chlorophenyl)methyl]-3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552484
3-(2,4-dimethylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-pentylpyrrole-2,5-dione
CID 110578418
3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-phenylpyrrole-2,5-dione
CID 110568790

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione (CID 110568508) is 3-(2,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione is C=CCN1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CCN(CCO)CC2)C1=O.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione?
The InChIKey is NWNACMRZLKTZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O3/c1-2-5-24-18(26)16(14-4-3-13(20)12-15(14)21)17(19(24)27)23-8-6-22(7-9-23)10-11-25/h2-4,12,25H,1,5-11H2.
What are the key properties of 3-(2,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione has a molecular weight of 410.30 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione is sourced from PubChem (CID 110568508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).