3,4-dichloro-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pyrrole-2,5-dione

C19H11Cl2N3O2 — CID 69004356

IUPAC3,4-dichloro-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)N1c1ccccc1C=Cc1n[nH]c2ccccc12
InChIInChI=1S/C19H11Cl2N3O2/c20-16-17(21)19(26)24(18(16)25)15-8-4-1-5-11(15)9-10-14-12-6-2-3-7-13(12)22-23-14/h1-10H,(H,22,23)
InChIKeyRVLILJKHGFILNY-UHFFFAOYSA-N
MW384.22 g/mol
LogP4.30
Rot. Bonds3

About 3,4-dichloro-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pyrrole-2,5-dione

3,4-dichloro-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pyrrole-2,5-dione (PubChem CID 69004356) has the molecular formula C19H11Cl2N3O2 and a molecular weight of 384.22 g/mol. Its IUPAC name is 3,4-dichloro-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dichloro-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pyrrole-2,5-dione
PubChem CID69004356
Molecular FormulaC19H11Cl2N3O2
Molecular Weight384.22 g/mol
Exact Mass383.02
IUPAC Name3,4-dichloro-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)N1c1ccccc1C=Cc1n[nH]c2ccccc12
InChIInChI=1S/C19H11Cl2N3O2/c20-16-17(21)19(26)24(18(16)25)15-8-4-1-5-11(15)9-10-14-12-6-2-3-7-13(12)22-23-14/h1-10H,(H,22,23)
InChIKeyRVLILJKHGFILNY-UHFFFAOYSA-N
XLogP4.30
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 54.30
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

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N-[3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]phenyl]acetamide
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N-[3-[methyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide
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(Z)-N-ethyl-N'-[3-(1H-indazol-3-yl)phenyl]but-2-enediamide
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N-[3-(4-Fluorophenyl)-1H-indazol-5-yl]acetamide
CID 110459272
N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide
CID 164612500
N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]prop-2-enamide
CID 164617074
N-(3-phenyl-1H-indazol-5-yl)acetamide
CID 22479951
(E)-N-[3-(1H-indazol-3-yl)phenyl]-3-phenylprop-2-enamide
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(E)-4-[3-(1H-indazol-3-yl)anilino]-4-oxobut-2-enoic acid
CID 134156546

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 3,4-dichloro-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pyrrole-2,5-dione (CID 69004356) is 3,4-dichloro-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3,4-dichloro-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3,4-dichloro-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pyrrole-2,5-dione is O=C1C(Cl)=C(Cl)C(=O)N1c1ccccc1C=Cc1n[nH]c2ccccc12.
What is the InChIKey of 3,4-dichloro-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pyrrole-2,5-dione?
The InChIKey is RVLILJKHGFILNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2N3O2/c20-16-17(21)19(26)24(18(16)25)15-8-4-1-5-11(15)9-10-14-12-6-2-3-7-13(12)22-23-14/h1-10H,(H,22,23).
What are the key properties of 3,4-dichloro-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pyrrole-2,5-dione?
3,4-dichloro-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pyrrole-2,5-dione has a molecular weight of 384.22 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 69004356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).