1-[1-(4-chlorobenzoyl)indol-3-yl]ethanone

C17H12ClNO2 — CID 3490268

IUPAC1-[1-(4-chlorobenzoyl)indol-3-yl]ethanone
SMILESCC(=O)c1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C17H12ClNO2/c1-11(20)15-10-19(16-5-3-2-4-14(15)16)17(21)12-6-8-13(18)9-7-12/h2-10H,1H3
InChIKeySRBMIVMWVLXGLC-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.19
Rot. Bonds2

About 1-[1-(4-chlorobenzoyl)indol-3-yl]ethanone

1-[1-(4-chlorobenzoyl)indol-3-yl]ethanone (PubChem CID 3490268) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 1-[1-(4-chlorobenzoyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-chlorobenzoyl)indol-3-yl]ethanone
PubChem CID3490268
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name1-[1-(4-chlorobenzoyl)indol-3-yl]ethanone
SMILESCC(=O)c1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C17H12ClNO2/c1-11(20)15-10-19(16-5-3-2-4-14(15)16)17(21)12-6-8-13(18)9-7-12/h2-10H,1H3
InChIKeySRBMIVMWVLXGLC-UHFFFAOYSA-N
XLogP4.19
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorobenzoyl)indol-3-yl]ethanone?
The IUPAC name of 1-[1-(4-chlorobenzoyl)indol-3-yl]ethanone (CID 3490268) is 1-[1-(4-chlorobenzoyl)indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(4-chlorobenzoyl)indol-3-yl]ethanone?
The canonical SMILES for 1-[1-(4-chlorobenzoyl)indol-3-yl]ethanone is CC(=O)c1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 1-[1-(4-chlorobenzoyl)indol-3-yl]ethanone?
The InChIKey is SRBMIVMWVLXGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c1-11(20)15-10-19(16-5-3-2-4-14(15)16)17(21)12-6-8-13(18)9-7-12/h2-10H,1H3.
What are the key properties of 1-[1-(4-chlorobenzoyl)indol-3-yl]ethanone?
1-[1-(4-chlorobenzoyl)indol-3-yl]ethanone has a molecular weight of 297.74 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorobenzoyl)indol-3-yl]ethanone is sourced from PubChem (CID 3490268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).