(2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone

C16H11ClFNO — CID 43339219

IUPAC(2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C16H11ClFNO/c1-9-15(12-4-2-3-5-14(12)19-9)16(20)11-7-6-10(18)8-13(11)17/h2-8,19H,1H3
InChIKeyYQFLAHQOKXDYLS-UHFFFAOYSA-N
MW287.72 g/mol
LogP4.50
Rot. Bonds2

About (2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone

(2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone (PubChem CID 43339219) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone
PubChem CID43339219
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name(2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C16H11ClFNO/c1-9-15(12-4-2-3-5-14(12)19-9)16(20)11-7-6-10(18)8-13(11)17/h2-8,19H,1H3
InChIKeyYQFLAHQOKXDYLS-UHFFFAOYSA-N
XLogP4.50
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone (CID 43339219) is (2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone is Cc1[nH]c2ccccc2c1C(=O)c1ccc(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone?
The InChIKey is YQFLAHQOKXDYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c1-9-15(12-4-2-3-5-14(12)19-9)16(20)11-7-6-10(18)8-13(11)17/h2-8,19H,1H3.
What are the key properties of (2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone?
(2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone has a molecular weight of 287.72 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 43339219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).