1-(4-chlorophenyl)-4-(4-methylphenyl)-3H-pyrrolo[2,3-b]pyrrole-2,5-dione

C19H13ClN2O2 — CID 70495398

IUPAC1-(4-chlorophenyl)-4-(4-methylphenyl)-3H-pyrrolo[2,3-b]pyrrole-2,5-dione
SMILESCc1ccc(C2=C3CC(=O)N(c4ccc(Cl)cc4)C3=NC2=O)cc1
InChIInChI=1S/C19H13ClN2O2/c1-11-2-4-12(5-3-11)17-15-10-16(23)22(18(15)21-19(17)24)14-8-6-13(20)7-9-14/h2-9H,10H2,1H3
InChIKeyBKZRDOVITCNUJH-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.78
Rot. Bonds2

About 1-(4-chlorophenyl)-4-(4-methylphenyl)-3H-pyrrolo[2,3-b]pyrrole-2,5-dione

1-(4-chlorophenyl)-4-(4-methylphenyl)-3H-pyrrolo[2,3-b]pyrrole-2,5-dione (PubChem CID 70495398) has the molecular formula C19H13ClN2O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(4-methylphenyl)-3H-pyrrolo[2,3-b]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(4-methylphenyl)-3H-pyrrolo[2,3-b]pyrrole-2,5-dione
PubChem CID70495398
Molecular FormulaC19H13ClN2O2
Molecular Weight336.78 g/mol
Exact Mass336.07
IUPAC Name1-(4-chlorophenyl)-4-(4-methylphenyl)-3H-pyrrolo[2,3-b]pyrrole-2,5-dione
SMILESCc1ccc(C2=C3CC(=O)N(c4ccc(Cl)cc4)C3=NC2=O)cc1
InChIInChI=1S/C19H13ClN2O2/c1-11-2-4-12(5-3-11)17-15-10-16(23)22(18(15)21-19(17)24)14-8-6-13(20)7-9-14/h2-9H,10H2,1H3
InChIKeyBKZRDOVITCNUJH-UHFFFAOYSA-N
XLogP3.78
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 60837458
1-(4-chlorophenyl)-3-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110573947
1-(4-chlorophenyl)-3-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110573949
3-(4-chlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110571088
3-chloro-4-(4-methylphenyl)-1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione
CID 110584172
1-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110570891
(2R,6S,7R)-7-(4-chlorophenyl)-4-(4-methylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 7390760
3-chloro-4-(4-chlorophenyl)-1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione
CID 110584051
(3S)-1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 1487266
1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 20607089
1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573960
2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione
CID 13194948

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(4-methylphenyl)-3H-pyrrolo[2,3-b]pyrrole-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-4-(4-methylphenyl)-3H-pyrrolo[2,3-b]pyrrole-2,5-dione (CID 70495398) is 1-(4-chlorophenyl)-4-(4-methylphenyl)-3H-pyrrolo[2,3-b]pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(4-methylphenyl)-3H-pyrrolo[2,3-b]pyrrole-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-4-(4-methylphenyl)-3H-pyrrolo[2,3-b]pyrrole-2,5-dione is Cc1ccc(C2=C3CC(=O)N(c4ccc(Cl)cc4)C3=NC2=O)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(4-methylphenyl)-3H-pyrrolo[2,3-b]pyrrole-2,5-dione?
The InChIKey is BKZRDOVITCNUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2/c1-11-2-4-12(5-3-11)17-15-10-16(23)22(18(15)21-19(17)24)14-8-6-13(20)7-9-14/h2-9H,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-(4-methylphenyl)-3H-pyrrolo[2,3-b]pyrrole-2,5-dione?
1-(4-chlorophenyl)-4-(4-methylphenyl)-3H-pyrrolo[2,3-b]pyrrole-2,5-dione has a molecular weight of 336.78 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(4-methylphenyl)-3H-pyrrolo[2,3-b]pyrrole-2,5-dione is sourced from PubChem (CID 70495398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).