1-(5-chloro-2-phenylindol-1-yl)ethanone

C16H12ClNO — CID 14493114

IUPAC1-(5-chloro-2-phenylindol-1-yl)ethanone
SMILESCC(=O)n1c(-c2ccccc2)cc2cc(Cl)ccc21
InChIInChI=1S/C16H12ClNO/c1-11(19)18-15-8-7-14(17)9-13(15)10-16(18)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyGEKWBNYSIVXAKE-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.62
Rot. Bonds1

About 1-(5-chloro-2-phenylindol-1-yl)ethanone

1-(5-chloro-2-phenylindol-1-yl)ethanone (PubChem CID 14493114) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 1-(5-chloro-2-phenylindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-phenylindol-1-yl)ethanone
PubChem CID14493114
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name1-(5-chloro-2-phenylindol-1-yl)ethanone
SMILESCC(=O)n1c(-c2ccccc2)cc2cc(Cl)ccc21
InChIInChI=1S/C16H12ClNO/c1-11(19)18-15-8-7-14(17)9-13(15)10-16(18)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyGEKWBNYSIVXAKE-UHFFFAOYSA-N
XLogP4.62
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-chloro-3-hydroxy-2-phenylindol-1-yl)ethanone
CID 68692517
methyl 3-[(5-chloro-2-phenylindol-1-yl)methyl]benzoate
CID 67684782
1-[2-(4-nitrophenyl)indol-1-yl]ethanone
CID 134941186
(2-chlorophenyl)-(2-phenylindol-1-yl)methanone
CID 146166145
1-(2,3,5-triphenylpyrrol-1-yl)ethanone
CID 102223207
5-methyl-N,2-diphenylindole-1-carboxamide
CID 25170726
6-chloro-2-methyl-3-phenylisoquinolin-1-one
CID 12931129
1-[6-chloro-2-phenyl-3-(trifluoromethyl)indol-1-yl]ethanone
CID 132961660
1-[2-(1-methyl-2-phenylindol-3-yl)indol-1-yl]ethanone
CID 134952924
1-[6-[(5-chloro-2-phenylindol-1-yl)methyl]-2-pyridinyl]-2-methylsulfonylethanone
CID 158537819
5-chloro-3-(5-chloro-2-phenylindol-1-yl)sulfonylpiperidin-2-one
CID 166594431
2-(bromomethyl)-5-chloroindole-1-carboxylic acid
CID 70112437

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-phenylindol-1-yl)ethanone?
The IUPAC name of 1-(5-chloro-2-phenylindol-1-yl)ethanone (CID 14493114) is 1-(5-chloro-2-phenylindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-chloro-2-phenylindol-1-yl)ethanone?
The canonical SMILES for 1-(5-chloro-2-phenylindol-1-yl)ethanone is CC(=O)n1c(-c2ccccc2)cc2cc(Cl)ccc21.
What is the InChIKey of 1-(5-chloro-2-phenylindol-1-yl)ethanone?
The InChIKey is GEKWBNYSIVXAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-11(19)18-15-8-7-14(17)9-13(15)10-16(18)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 1-(5-chloro-2-phenylindol-1-yl)ethanone?
1-(5-chloro-2-phenylindol-1-yl)ethanone has a molecular weight of 269.73 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-phenylindol-1-yl)ethanone is sourced from PubChem (CID 14493114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).