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

C19H13ClN2O3 — CID 22308770

IUPAC3-chloro-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2c[nH]c3ccc(OCc4ccccc4)cc23)=C1Cl
InChIInChI=1S/C19H13ClN2O3/c20-17-16(18(23)22-19(17)24)14-9-21-15-7-6-12(8-13(14)15)25-10-11-4-2-1-3-5-11/h1-9,21H,10H2,(H,22,23,24)
InChIKeyYEUHHNTUWWIRTJ-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.35
Rot. Bonds4

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

3-chloro-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22308770) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 3-chloro-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22308770
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name3-chloro-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2c[nH]c3ccc(OCc4ccccc4)cc23)=C1Cl
InChIInChI=1S/C19H13ClN2O3/c20-17-16(18(23)22-19(17)24)14-9-21-15-7-6-12(8-13(14)15)25-10-11-4-2-1-3-5-11/h1-9,21H,10H2,(H,22,23,24)
InChIKeyYEUHHNTUWWIRTJ-UHFFFAOYSA-N
XLogP3.35
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 54708548
3-[1-[2-(dimethylamino)ethyl]-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 22409597
3-[5-[3-(dimethylamino)-2-hydroxy-3-phenylmethoxypropyl]-1H-indol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 67768522
2-(2-tert-butyl-1H-indol-3-yl)-3,6-dichloro-5-(5-phenylmethoxy-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione
CID 102396798
(3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 11164464
3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 69455728
3-[1-(1-amino-3-ethyl-2-hydroxypentan-3-yl)-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 67768882
2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10891912
3-[3-[2,5-dioxo-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrol-3-yl]-5-phenylmethoxyindol-1-yl]propyl carbamimidothioate
CID 22410276
N,N-dimethyl-1-[2-(5-phenylmethoxy-1H-indol-3-yl)phenyl]methanamine
CID 174402839
3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409335
3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-5-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 18947115

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione (CID 22308770) is 3-chloro-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione is O=C1NC(=O)C(c2c[nH]c3ccc(OCc4ccccc4)cc23)=C1Cl.
What is the InChIKey of 3-chloro-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is YEUHHNTUWWIRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-17-16(18(23)22-19(17)24)14-9-21-15-7-6-12(8-13(14)15)25-10-11-4-2-1-3-5-11/h1-9,21H,10H2,(H,22,23,24).
What are the key properties of 3-chloro-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione?
3-chloro-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 352.78 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22308770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).