(2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone

C16H11ClFNO — CID 82791957

IUPAC(2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone
SMILESCc1cccc(C(=O)c2c[nH]c3cccc(F)c23)c1Cl
InChIInChI=1S/C16H11ClFNO/c1-9-4-2-5-10(15(9)17)16(20)11-8-19-13-7-3-6-12(18)14(11)13/h2-8,19H,1H3
InChIKeyZNOLDZWUDMBDIC-UHFFFAOYSA-N
MW287.72 g/mol
LogP4.50
Rot. Bonds2

About (2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone

(2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone (PubChem CID 82791957) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is (2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone
PubChem CID82791957
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name(2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone
SMILESCc1cccc(C(=O)c2c[nH]c3cccc(F)c23)c1Cl
InChIInChI=1S/C16H11ClFNO/c1-9-4-2-5-10(15(9)17)16(20)11-8-19-13-7-3-6-12(18)14(11)13/h2-8,19H,1H3
InChIKeyZNOLDZWUDMBDIC-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

Analyze (2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid
CID 82782160
(2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791826
(2,5-dimethylfuran-3-yl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792530
(3-chlorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792283
1-(4-fluoro-1H-indol-3-yl)butan-1-one
CID 82793339
(2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 81454697
(4-fluoro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882312
(2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 107950019
(2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164275
3-methyl-1H-indole-4-carboxylate
CID 51777087
1-(4-fluoro-1H-indol-3-yl)prop-2-en-1-one
CID 103522563
3-(2-methylbenzoyl)-1H-indole-4-carbonitrile
CID 107918715

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of (2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone (CID 82791957) is (2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for (2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone is Cc1cccc(C(=O)c2c[nH]c3cccc(F)c23)c1Cl.
What is the InChIKey of (2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone?
The InChIKey is ZNOLDZWUDMBDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c1-9-4-2-5-10(15(9)17)16(20)11-8-19-13-7-3-6-12(18)14(11)13/h2-8,19H,1H3.
What are the key properties of (2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone?
(2-chloro-3-methylphenyl)-(4-fluoro-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-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 82791957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).