2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone

C15H12Cl2N2O — CID 103427962

IUPAC2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCn1ccc(C(=O)Cn2ccc3c(Cl)cc(Cl)cc32)c1
InChIInChI=1S/C15H12Cl2N2O/c1-18-4-2-10(8-18)15(20)9-19-5-3-12-13(17)6-11(16)7-14(12)19/h2-8H,9H2,1H3
InChIKeyCRBDEZWIOVMDFZ-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.17
Rot. Bonds3

About 2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone

2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 103427962) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID103427962
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCn1ccc(C(=O)Cn2ccc3c(Cl)cc(Cl)cc32)c1
InChIInChI=1S/C15H12Cl2N2O/c1-18-4-2-10(8-18)15(20)9-19-5-3-12-13(17)6-11(16)7-14(12)19/h2-8H,9H2,1H3
InChIKeyCRBDEZWIOVMDFZ-UHFFFAOYSA-N
XLogP4.17
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone
CID 103427977
2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide
CID 103428458
2-(4,6-dichloroindol-1-yl)-1-(2-fluorophenyl)ethanone
CID 103427998
2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide
CID 103428284
2-(5-bromoindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 62024127
4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide
CID 103428177
4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole
CID 103428376
4,6-dichloro-1-(2-methylsulfonylethyl)indole
CID 103428479
4,6-dichloro-1-(2-methylsulfanylethyl)indole
CID 103428339
4,6-dichloro-1-(3-ethylsulfonylpropyl)indole
CID 103428287
methyl 3-(4,6-dichloroindol-1-yl)-2,2-dimethylpropanoate
CID 103427749
4,6-dichloro-1-[(2,6-dichlorophenyl)methyl]indole
CID 103428456

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone (CID 103427962) is 2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone is Cn1ccc(C(=O)Cn2ccc3c(Cl)cc(Cl)cc32)c1.
What is the InChIKey of 2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is CRBDEZWIOVMDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-18-4-2-10(8-18)15(20)9-19-5-3-12-13(17)6-11(16)7-14(12)19/h2-8H,9H2,1H3.
What are the key properties of 2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 307.18 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 103427962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).