1-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]ethanone

C17H13Cl2NO — CID 102341423

IUPAC1-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]ethanone
SMILESCC(=O)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C17H13Cl2NO/c1-11(21)16-14-4-2-3-5-15(14)20(17(16)19)10-12-6-8-13(18)9-7-12/h2-9H,10H2,1H3
InChIKeyKFIJHQWHVOLSDF-UHFFFAOYSA-N
MW318.20 g/mol
LogP5.20
Rot. Bonds3

About 1-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]ethanone

1-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]ethanone (PubChem CID 102341423) has the molecular formula C17H13Cl2NO and a molecular weight of 318.20 g/mol. Its IUPAC name is 1-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]ethanone
PubChem CID102341423
Molecular FormulaC17H13Cl2NO
Molecular Weight318.20 g/mol
Exact Mass317.04
IUPAC Name1-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]ethanone
SMILESCC(=O)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C17H13Cl2NO/c1-11(21)16-14-4-2-3-5-15(14)20(17(16)19)10-12-6-8-13(18)9-7-12/h2-9H,10H2,1H3
InChIKeyKFIJHQWHVOLSDF-UHFFFAOYSA-N
XLogP5.20
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.20
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]ethanone?
The IUPAC name of 1-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]ethanone (CID 102341423) is 1-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]ethanone.
What is the SMILES notation for 1-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]ethanone?
The canonical SMILES for 1-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]ethanone is CC(=O)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 1-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]ethanone?
The InChIKey is KFIJHQWHVOLSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO/c1-11(21)16-14-4-2-3-5-15(14)20(17(16)19)10-12-6-8-13(18)9-7-12/h2-9H,10H2,1H3.
What are the key properties of 1-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]ethanone?
1-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]ethanone has a molecular weight of 318.20 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]ethanone is sourced from PubChem (CID 102341423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).