1-benzyl-3-chloro-4-(1H-indol-3-yl)pyrrole-2,5-dione

C19H13ClN2O2 — CID 10806820

IUPAC1-benzyl-3-chloro-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(c2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H13ClN2O2/c20-17-16(14-10-21-15-9-5-4-8-13(14)15)18(23)22(19(17)24)11-12-6-2-1-3-7-12/h1-10,21H,11H2
InChIKeySEQVKRUJRUENOV-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.69
Rot. Bonds3

About 1-benzyl-3-chloro-4-(1H-indol-3-yl)pyrrole-2,5-dione

1-benzyl-3-chloro-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 10806820) has the molecular formula C19H13ClN2O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is 1-benzyl-3-chloro-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-chloro-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID10806820
Molecular FormulaC19H13ClN2O2
Molecular Weight336.78 g/mol
Exact Mass336.07
IUPAC Name1-benzyl-3-chloro-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(c2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H13ClN2O2/c20-17-16(14-10-21-15-9-5-4-8-13(14)15)18(23)22(19(17)24)11-12-6-2-1-3-7-12/h1-10,21H,11H2
InChIKeySEQVKRUJRUENOV-UHFFFAOYSA-N
XLogP3.69
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-chloro-4-naphthalen-1-ylpyrrole-2,5-dione
CID 101463222
3,4-bis(1H-indol-3-yl)-1-(phenylmethoxymethyl)pyrrole-2,5-dione
CID 54317988
1-benzyl-3-chloro-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110583813
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
2-(1H-indol-3-ylmethyl)isoindole-1,3-dione
CID 12504745
1-benzyl-3-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]thiourea
CID 172699547
3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione
CID 148910370
1-[(4-tert-butylphenyl)methyl]-3,4-bis(7-chloro-1H-indol-3-yl)pyrrole-2,5-dione
CID 101149581
3,4-bis(6-fluoro-1H-indol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2,5-dione
CID 19429586
N-[4-(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)phenyl]acetamide
CID 110583553
1-benzyl-3-chloro-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110584457
1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one
CID 164523817

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-chloro-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-chloro-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 10806820) is 1-benzyl-3-chloro-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-chloro-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-chloro-4-(1H-indol-3-yl)pyrrole-2,5-dione is O=C1C(Cl)=C(c2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-chloro-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is SEQVKRUJRUENOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2/c20-17-16(14-10-21-15-9-5-4-8-13(14)15)18(23)22(19(17)24)11-12-6-2-1-3-7-12/h1-10,21H,11H2.
What are the key properties of 1-benzyl-3-chloro-4-(1H-indol-3-yl)pyrrole-2,5-dione?
1-benzyl-3-chloro-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 336.78 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-chloro-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 10806820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).