(2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone

C16H11ClFNO — CID 81454697

IUPAC(2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2[nH]cc(C(=O)c3cccc(F)c3Cl)c2c1
InChIInChI=1S/C16H11ClFNO/c1-9-5-6-14-11(7-9)12(8-19-14)16(20)10-3-2-4-13(18)15(10)17/h2-8,19H,1H3
InChIKeySTDDDGXIRYAVFQ-UHFFFAOYSA-N
MW287.72 g/mol
LogP4.50
Rot. Bonds2

About (2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone

(2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone (PubChem CID 81454697) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
PubChem CID81454697
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name(2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2[nH]cc(C(=O)c3cccc(F)c3Cl)c2c1
InChIInChI=1S/C16H11ClFNO/c1-9-5-6-14-11(7-9)12(8-19-14)16(20)10-3-2-4-13(18)15(10)17/h2-8,19H,1H3
InChIKeySTDDDGXIRYAVFQ-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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Related Compounds

(2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555321
(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555332
(2-bromo-6-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 114558734
(5-methyl-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63555314
(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile
CID 107916761
(5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101248
(5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514797
(3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 107123712
(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
(2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791957
(3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81267214

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone (CID 81454697) is (2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone is Cc1ccc2[nH]cc(C(=O)c3cccc(F)c3Cl)c2c1.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone?
The InChIKey is STDDDGXIRYAVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c1-9-5-6-14-11(7-9)12(8-19-14)16(20)10-3-2-4-13(18)15(10)17/h2-8,19H,1H3.
What are the key properties of (2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone?
(2-chloro-3-fluorophenyl)-(5-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-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 81454697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).