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

C11H8Cl2N2O2 — CID 58230278

IUPAC3,4-dichloro-1-(3-methylanilino)pyrrole-2,5-dione
SMILESCc1cccc(NN2C(=O)C(Cl)=C(Cl)C2=O)c1
InChIInChI=1S/C11H8Cl2N2O2/c1-6-3-2-4-7(5-6)14-15-10(16)8(12)9(13)11(15)17/h2-5,14H,1H3
InChIKeyALANPCONIZTMMN-UHFFFAOYSA-N
MW271.10 g/mol
LogP2.38
Rot. Bonds2

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

3,4-dichloro-1-(3-methylanilino)pyrrole-2,5-dione (PubChem CID 58230278) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 3,4-dichloro-1-(3-methylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dichloro-1-(3-methylanilino)pyrrole-2,5-dione
PubChem CID58230278
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name3,4-dichloro-1-(3-methylanilino)pyrrole-2,5-dione
SMILESCc1cccc(NN2C(=O)C(Cl)=C(Cl)C2=O)c1
InChIInChI=1S/C11H8Cl2N2O2/c1-6-3-2-4-7(5-6)14-15-10(16)8(12)9(13)11(15)17/h2-5,14H,1H3
InChIKeyALANPCONIZTMMN-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-5-methylanilino)-3,4-dimethylpyrrole-2,5-dione
CID 138527412
3-chloro-4-(3-methylanilino)-1-(4-nitrophenyl)pyrrole-2,5-dione
CID 101041433
1-(2-chloro-4-methylanilino)-3,4-dimethylpyrrole-2,5-dione
CID 58230223
(3-methylanilino)azanium
CID 4555748
N-(3-methylphenyl)acetamide
CID 10843
(3-methylanilino)-oxosulfanium
CID 143284589
1-(1,3-dioxoisoindol-2-yl)-3-(3-methylphenyl)thiourea
CID 12881181
1-(4-chlorophenyl)-N-(3-methylphenyl)methanesulfonamide
CID 18891258
5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one
CID 83133830
(3aS,7aR)-5-chloro-2-[(3-methylanilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98127588
3-(methylamino)-4-(3-methylanilino)cyclobut-3-ene-1,2-dione
CID 134424201
N-[4-(4-chlorophenyl)phenyl]-3-methylaniline
CID 16755340

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1-(3-methylanilino)pyrrole-2,5-dione?
The IUPAC name of 3,4-dichloro-1-(3-methylanilino)pyrrole-2,5-dione (CID 58230278) is 3,4-dichloro-1-(3-methylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-dichloro-1-(3-methylanilino)pyrrole-2,5-dione?
The canonical SMILES for 3,4-dichloro-1-(3-methylanilino)pyrrole-2,5-dione is Cc1cccc(NN2C(=O)C(Cl)=C(Cl)C2=O)c1.
What is the InChIKey of 3,4-dichloro-1-(3-methylanilino)pyrrole-2,5-dione?
The InChIKey is ALANPCONIZTMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c1-6-3-2-4-7(5-6)14-15-10(16)8(12)9(13)11(15)17/h2-5,14H,1H3.
What are the key properties of 3,4-dichloro-1-(3-methylanilino)pyrrole-2,5-dione?
3,4-dichloro-1-(3-methylanilino)pyrrole-2,5-dione has a molecular weight of 271.10 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1-(3-methylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 58230278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).