3-chloro-1-(4-iodo-2-methylphenyl)-4-(1-phenylethylamino)pyrrole-2,5-dione

C19H16ClIN2O2 — CID 4547339

IUPAC3-chloro-1-(4-iodo-2-methylphenyl)-4-(1-phenylethylamino)pyrrole-2,5-dione
SMILESCc1cc(I)ccc1N1C(=O)C(Cl)=C(NC(C)c2ccccc2)C1=O
InChIInChI=1S/C19H16ClIN2O2/c1-11-10-14(21)8-9-15(11)23-18(24)16(20)17(19(23)25)22-12(2)13-6-4-3-5-7-13/h3-10,12,22H,1-2H3
InChIKeySDCHUMKQAMCOCN-UHFFFAOYSA-N
MW466.71 g/mol
LogP4.27
Rot. Bonds4

About 3-chloro-1-(4-iodo-2-methylphenyl)-4-(1-phenylethylamino)pyrrole-2,5-dione

3-chloro-1-(4-iodo-2-methylphenyl)-4-(1-phenylethylamino)pyrrole-2,5-dione (PubChem CID 4547339) has the molecular formula C19H16ClIN2O2 and a molecular weight of 466.71 g/mol. Its IUPAC name is 3-chloro-1-(4-iodo-2-methylphenyl)-4-(1-phenylethylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(4-iodo-2-methylphenyl)-4-(1-phenylethylamino)pyrrole-2,5-dione
PubChem CID4547339
Molecular FormulaC19H16ClIN2O2
Molecular Weight466.71 g/mol
Exact Mass465.99
IUPAC Name3-chloro-1-(4-iodo-2-methylphenyl)-4-(1-phenylethylamino)pyrrole-2,5-dione
SMILESCc1cc(I)ccc1N1C(=O)C(Cl)=C(NC(C)c2ccccc2)C1=O
InChIInChI=1S/C19H16ClIN2O2/c1-11-10-14(21)8-9-15(11)23-18(24)16(20)17(19(23)25)22-12(2)13-6-4-3-5-7-13/h3-10,12,22H,1-2H3
InChIKeySDCHUMKQAMCOCN-UHFFFAOYSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.71
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(1-phenylethylamino)pyrrole-2,5-dione
CID 5140045
propan-2-yl 2-[3-chloro-2,5-dioxo-4-(1-phenylethylamino)pyrrol-1-yl]benzoate
CID 4547499
ethyl 3-[3-chloro-2,5-dioxo-4-(1-phenylethylamino)pyrrol-1-yl]benzoate
CID 4547502
3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione
CID 710569
3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 728018
3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 710533
3-chloro-1-(4-iodo-2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 3373886
3-chloro-4-(2-ethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 720385
4-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(1-phenylethyl)benzamide
CID 5071532
3-chloro-1-(2-methylphenyl)-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 1186087
3-hydroxy-1-(4-iodo-2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110582863
3-chloro-1-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584265

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-iodo-2-methylphenyl)-4-(1-phenylethylamino)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(4-iodo-2-methylphenyl)-4-(1-phenylethylamino)pyrrole-2,5-dione (CID 4547339) is 3-chloro-1-(4-iodo-2-methylphenyl)-4-(1-phenylethylamino)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(4-iodo-2-methylphenyl)-4-(1-phenylethylamino)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(4-iodo-2-methylphenyl)-4-(1-phenylethylamino)pyrrole-2,5-dione is Cc1cc(I)ccc1N1C(=O)C(Cl)=C(NC(C)c2ccccc2)C1=O.
What is the InChIKey of 3-chloro-1-(4-iodo-2-methylphenyl)-4-(1-phenylethylamino)pyrrole-2,5-dione?
The InChIKey is SDCHUMKQAMCOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClIN2O2/c1-11-10-14(21)8-9-15(11)23-18(24)16(20)17(19(23)25)22-12(2)13-6-4-3-5-7-13/h3-10,12,22H,1-2H3.
What are the key properties of 3-chloro-1-(4-iodo-2-methylphenyl)-4-(1-phenylethylamino)pyrrole-2,5-dione?
3-chloro-1-(4-iodo-2-methylphenyl)-4-(1-phenylethylamino)pyrrole-2,5-dione has a molecular weight of 466.71 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-iodo-2-methylphenyl)-4-(1-phenylethylamino)pyrrole-2,5-dione is sourced from PubChem (CID 4547339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).