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

C17H11Cl2IN2O2 — CID 1192250

IUPAC3-chloro-1-(4-chlorophenyl)-4-(4-iodo-2-methylanilino)pyrrole-2,5-dione
SMILESCc1cc(I)ccc1NC1=C(Cl)C(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H11Cl2IN2O2/c1-9-8-11(20)4-7-13(9)21-15-14(19)16(23)22(17(15)24)12-5-2-10(18)3-6-12/h2-8,21H,1H3
InChIKeySOALKVFFTFIXNC-UHFFFAOYSA-N
MW473.10 g/mol
LogP4.69
Rot. Bonds3

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

3-chloro-1-(4-chlorophenyl)-4-(4-iodo-2-methylanilino)pyrrole-2,5-dione (PubChem CID 1192250) has the molecular formula C17H11Cl2IN2O2 and a molecular weight of 473.10 g/mol. Its IUPAC name is 3-chloro-1-(4-chlorophenyl)-4-(4-iodo-2-methylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(4-chlorophenyl)-4-(4-iodo-2-methylanilino)pyrrole-2,5-dione
PubChem CID1192250
Molecular FormulaC17H11Cl2IN2O2
Molecular Weight473.10 g/mol
Exact Mass471.92
IUPAC Name3-chloro-1-(4-chlorophenyl)-4-(4-iodo-2-methylanilino)pyrrole-2,5-dione
SMILESCc1cc(I)ccc1NC1=C(Cl)C(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H11Cl2IN2O2/c1-9-8-11(20)4-7-13(9)21-15-14(19)16(23)22(17(15)24)12-5-2-10(18)3-6-12/h2-8,21H,1H3
InChIKeySOALKVFFTFIXNC-UHFFFAOYSA-N
XLogP4.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.10
LogP ≤ 54.69
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-(4-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione
CID 1185285
3-(5-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110599982
3-(5-chloro-2-methylanilino)-1-(4-chlorophenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110589582
3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione
CID 1407609
3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 1033955
3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 1033956
3-chloro-1-(2-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione
CID 1185248
3-chloro-1-(3-chloro-4-methylphenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione
CID 1181998
3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methyl-N-(2-methylphenyl)benzamide
CID 1407541
N-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide
CID 1407525
3-[[4-chloro-1-(4-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(4-ethoxyphenyl)-4-methylbenzamide
CID 1407604
ethyl 3-[[4-chloro-1-(4-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
CID 1185278

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-chlorophenyl)-4-(4-iodo-2-methylanilino)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(4-chlorophenyl)-4-(4-iodo-2-methylanilino)pyrrole-2,5-dione (CID 1192250) is 3-chloro-1-(4-chlorophenyl)-4-(4-iodo-2-methylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(4-chlorophenyl)-4-(4-iodo-2-methylanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(4-chlorophenyl)-4-(4-iodo-2-methylanilino)pyrrole-2,5-dione is Cc1cc(I)ccc1NC1=C(Cl)C(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-chloro-1-(4-chlorophenyl)-4-(4-iodo-2-methylanilino)pyrrole-2,5-dione?
The InChIKey is SOALKVFFTFIXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2IN2O2/c1-9-8-11(20)4-7-13(9)21-15-14(19)16(23)22(17(15)24)12-5-2-10(18)3-6-12/h2-8,21H,1H3.
What are the key properties of 3-chloro-1-(4-chlorophenyl)-4-(4-iodo-2-methylanilino)pyrrole-2,5-dione?
3-chloro-1-(4-chlorophenyl)-4-(4-iodo-2-methylanilino)pyrrole-2,5-dione has a molecular weight of 473.10 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-chlorophenyl)-4-(4-iodo-2-methylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 1192250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).