(6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone

C16H10Cl3NO — CID 116651038

IUPAC(6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone
SMILESCn1cc(C(=O)c2c(Cl)cccc2Cl)c2ccc(Cl)cc21
InChIInChI=1S/C16H10Cl3NO/c1-20-8-11(10-6-5-9(17)7-14(10)20)16(21)15-12(18)3-2-4-13(15)19/h2-8H,1H3
InChIKeyCPVRKGNDXQXBGJ-UHFFFAOYSA-N
MW338.62 g/mol
LogP5.37
Rot. Bonds2

About (6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone

(6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone (PubChem CID 116651038) has the molecular formula C16H10Cl3NO and a molecular weight of 338.62 g/mol. Its IUPAC name is (6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Name(6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone
PubChem CID116651038
Molecular FormulaC16H10Cl3NO
Molecular Weight338.62 g/mol
Exact Mass336.98
IUPAC Name(6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone
SMILESCn1cc(C(=O)c2c(Cl)cccc2Cl)c2ccc(Cl)cc21
InChIInChI=1S/C16H10Cl3NO/c1-20-8-11(10-6-5-9(17)7-14(10)20)16(21)15-12(18)3-2-4-13(15)19/h2-8H,1H3
InChIKeyCPVRKGNDXQXBGJ-UHFFFAOYSA-N
XLogP5.37
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)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

(6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone
CID 116650948
(6-chloro-1-methylindol-3-yl)-(2-ethylphenyl)methanone
CID 116651047
(6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 116651068
(6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone
CID 116651031
(6-chloro-1-methylindol-3-yl)-cycloheptylmethanone
CID 116651040
1-(6-chloro-1-methylindol-3-yl)-2-(3-methylphenyl)ethanone
CID 116651006
2-(3-bromophenyl)-1-(6-chloro-1-methylindol-3-yl)ethanone
CID 116651087
2-amino-1-(6-chloro-1-methylindol-3-yl)-3-hydroxypropan-1-one
CID 162765497
1-(6-chloro-1-methylindol-3-yl)-3,4,4-trimethylpentan-1-one
CID 116650978
(3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116546949
(3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547045
(6-chloro-1-methylindol-3-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107176724

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone?
The IUPAC name of (6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone (CID 116651038) is (6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for (6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone?
The canonical SMILES for (6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone is Cn1cc(C(=O)c2c(Cl)cccc2Cl)c2ccc(Cl)cc21.
What is the InChIKey of (6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone?
The InChIKey is CPVRKGNDXQXBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3NO/c1-20-8-11(10-6-5-9(17)7-14(10)20)16(21)15-12(18)3-2-4-13(15)19/h2-8H,1H3.
What are the key properties of (6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone?
(6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone has a molecular weight of 338.62 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1-methylindol-3-yl)-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 116651038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).