1-(2-hydroxyethyl)-3-(3-iodo-4-methylanilino)pyrrole-2,5-dione

C13H13IN2O3 — CID 168556834

IUPAC1-(2-hydroxyethyl)-3-(3-iodo-4-methylanilino)pyrrole-2,5-dione
SMILESCc1ccc(NC2=CC(=O)N(CCO)C2=O)cc1I
InChIInChI=1S/C13H13IN2O3/c1-8-2-3-9(6-10(8)14)15-11-7-12(18)16(4-5-17)13(11)19/h2-3,6-7,15,17H,4-5H2,1H3
InChIKeyFRBGXOCHZHLFFB-UHFFFAOYSA-N
MW372.16 g/mol
LogP1.26
Rot. Bonds4

About 1-(2-hydroxyethyl)-3-(3-iodo-4-methylanilino)pyrrole-2,5-dione

1-(2-hydroxyethyl)-3-(3-iodo-4-methylanilino)pyrrole-2,5-dione (PubChem CID 168556834) has the molecular formula C13H13IN2O3 and a molecular weight of 372.16 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(3-iodo-4-methylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(3-iodo-4-methylanilino)pyrrole-2,5-dione
PubChem CID168556834
Molecular FormulaC13H13IN2O3
Molecular Weight372.16 g/mol
Exact Mass372.00
IUPAC Name1-(2-hydroxyethyl)-3-(3-iodo-4-methylanilino)pyrrole-2,5-dione
SMILESCc1ccc(NC2=CC(=O)N(CCO)C2=O)cc1I
InChIInChI=1S/C13H13IN2O3/c1-8-2-3-9(6-10(8)14)15-11-7-12(18)16(4-5-17)13(11)19/h2-3,6-7,15,17H,4-5H2,1H3
InChIKeyFRBGXOCHZHLFFB-UHFFFAOYSA-N
XLogP1.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.16
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]-4-methylbenzamide
CID 168558229
1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione
CID 168559346
N-[3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylphenyl]acetamide
CID 168556139
N-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]-2-methylpropanamide
CID 168557345
N-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]thiophene-2-carboxamide
CID 168559630
3-[3-chloro-4-(2,5-dimethylphenoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557854
3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 16647775
1-(2-hydroxyethyl)-3-(4-sulfanylanilino)pyrrole-2,5-dione
CID 168556665
N-[2-hydroxy-5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]acetamide
CID 168558004
methyl 2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-5-iodo-4-methylbenzoate
CID 168556196
4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzenesulfonic acid
CID 168556010
3-(3-bromo-4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556535

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(3-iodo-4-methylanilino)pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-(3-iodo-4-methylanilino)pyrrole-2,5-dione (CID 168556834) is 1-(2-hydroxyethyl)-3-(3-iodo-4-methylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(3-iodo-4-methylanilino)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(3-iodo-4-methylanilino)pyrrole-2,5-dione is Cc1ccc(NC2=CC(=O)N(CCO)C2=O)cc1I.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(3-iodo-4-methylanilino)pyrrole-2,5-dione?
The InChIKey is FRBGXOCHZHLFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O3/c1-8-2-3-9(6-10(8)14)15-11-7-12(18)16(4-5-17)13(11)19/h2-3,6-7,15,17H,4-5H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-(3-iodo-4-methylanilino)pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-(3-iodo-4-methylanilino)pyrrole-2,5-dione has a molecular weight of 372.16 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(3-iodo-4-methylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 168556834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).