6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione

C15H9Cl2NO2 — CID 61356762

IUPAC6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cccc(Cl)c2)c2cc(Cl)ccc21
InChIInChI=1S/C15H9Cl2NO2/c16-10-3-1-2-9(6-10)8-18-13-7-11(17)4-5-12(13)14(19)15(18)20/h1-7H,8H2
InChIKeySNVWLOYUDSMFCY-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.72
Rot. Bonds2

About 6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione

6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione (PubChem CID 61356762) has the molecular formula C15H9Cl2NO2 and a molecular weight of 306.15 g/mol. Its IUPAC name is 6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione
PubChem CID61356762
Molecular FormulaC15H9Cl2NO2
Molecular Weight306.15 g/mol
Exact Mass305.00
IUPAC Name6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cccc(Cl)c2)c2cc(Cl)ccc21
InChIInChI=1S/C15H9Cl2NO2/c16-10-3-1-2-9(6-10)8-18-13-7-11(17)4-5-12(13)14(19)15(18)20/h1-7H,8H2
InChIKeySNVWLOYUDSMFCY-UHFFFAOYSA-N
XLogP3.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione
CID 61355930
6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione
CID 61356251
5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 139227622
1-[(3-chlorophenyl)methyl]-7-fluoro-5-methylindole-2,3-dione
CID 61356665
1-benzyl-6-(trifluoromethyl)indole-2,3-dione
CID 141454622
6-chloro-1,3-bis[(3-chlorophenyl)methyl]-3H-indol-2-one
CID 141158846
6-chloro-1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-2,3-dione
CID 61355262
1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione
CID 61356419
6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione
CID 79173662
1-but-2-enyl-6-chloroindole-2,3-dione
CID 61356254
6-chloro-1-phenacylindole-2,3-dione
CID 62023849
6-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole-2,3-dione
CID 64772916

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione?
The IUPAC name of 6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione (CID 61356762) is 6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione?
The canonical SMILES for 6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2cccc(Cl)c2)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione?
The InChIKey is SNVWLOYUDSMFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO2/c16-10-3-1-2-9(6-10)8-18-13-7-11(17)4-5-12(13)14(19)15(18)20/h1-7H,8H2.
What are the key properties of 6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione?
6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione has a molecular weight of 306.15 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 61356762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).