3-chloro-1-(4-chlorophenyl)-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione

C15H14Cl2N2O3 — CID 4124404

IUPAC3-chloro-1-(4-chlorophenyl)-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(NCC2CCCO2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2N2O3/c16-9-3-5-10(6-4-9)19-14(20)12(17)13(15(19)21)18-8-11-2-1-7-22-11/h3-6,11,18H,1-2,7-8H2
InChIKeyNSWZHOPFNSIYQQ-UHFFFAOYSA-N
MW341.19 g/mol
LogP2.43
Rot. Bonds4

About 3-chloro-1-(4-chlorophenyl)-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione

3-chloro-1-(4-chlorophenyl)-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione (PubChem CID 4124404) has the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.19 g/mol. Its IUPAC name is 3-chloro-1-(4-chlorophenyl)-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(4-chlorophenyl)-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione
PubChem CID4124404
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.19 g/mol
Exact Mass340.04
IUPAC Name3-chloro-1-(4-chlorophenyl)-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(NCC2CCCO2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2N2O3/c16-9-3-5-10(6-4-9)19-14(20)12(17)13(15(19)21)18-8-11-2-1-7-22-11/h3-6,11,18H,1-2,7-8H2
InChIKeyNSWZHOPFNSIYQQ-UHFFFAOYSA-N
XLogP2.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 52.43
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-(4-bromophenyl)-3-chloro-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione
CID 3566422
3-chloro-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylpyrrole-2,5-dione
CID 699001
4-[[4-chloro-1-(3,4-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4050970
4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981235
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(oxolan-2-ylmethyl)urea
CID 18564498
1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]-2-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]isoindole-5-carboxamide
CID 28958348
5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride
CID 119843545
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide
CID 19654469
2-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 54797397

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-chlorophenyl)-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(4-chlorophenyl)-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione (CID 4124404) is 3-chloro-1-(4-chlorophenyl)-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(4-chlorophenyl)-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(4-chlorophenyl)-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione is O=C1C(Cl)=C(NCC2CCCO2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-1-(4-chlorophenyl)-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione?
The InChIKey is NSWZHOPFNSIYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3/c16-9-3-5-10(6-4-9)19-14(20)12(17)13(15(19)21)18-8-11-2-1-7-22-11/h3-6,11,18H,1-2,7-8H2.
What are the key properties of 3-chloro-1-(4-chlorophenyl)-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione?
3-chloro-1-(4-chlorophenyl)-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione has a molecular weight of 341.19 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-chlorophenyl)-4-(oxolan-2-ylmethylamino)pyrrole-2,5-dione is sourced from PubChem (CID 4124404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).