(6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone

C17H13Cl2NO — CID 116651068

IUPAC(6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone
SMILESCc1cc(Cl)cc(C(=O)c2cn(C)c3cc(Cl)ccc23)c1
InChIInChI=1S/C17H13Cl2NO/c1-10-5-11(7-13(19)6-10)17(21)15-9-20(2)16-8-12(18)3-4-14(15)16/h3-9H,1-2H3
InChIKeyFBXHRSVOOCPTBJ-UHFFFAOYSA-N
MW318.20 g/mol
LogP5.02
Rot. Bonds2

About (6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone

(6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone (PubChem CID 116651068) has the molecular formula C17H13Cl2NO and a molecular weight of 318.20 g/mol. Its IUPAC name is (6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone
PubChem CID116651068
Molecular FormulaC17H13Cl2NO
Molecular Weight318.20 g/mol
Exact Mass317.04
IUPAC Name(6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone
SMILESCc1cc(Cl)cc(C(=O)c2cn(C)c3cc(Cl)ccc23)c1
InChIInChI=1S/C17H13Cl2NO/c1-10-5-11(7-13(19)6-10)17(21)15-9-20(2)16-8-12(18)3-4-14(15)16/h3-9H,1-2H3
InChIKeyFBXHRSVOOCPTBJ-UHFFFAOYSA-N
XLogP5.02
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.20
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone?
The IUPAC name of (6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone (CID 116651068) is (6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone.
What is the SMILES notation for (6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone?
The canonical SMILES for (6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone is Cc1cc(Cl)cc(C(=O)c2cn(C)c3cc(Cl)ccc23)c1.
What is the InChIKey of (6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone?
The InChIKey is FBXHRSVOOCPTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO/c1-10-5-11(7-13(19)6-10)17(21)15-9-20(2)16-8-12(18)3-4-14(15)16/h3-9H,1-2H3.
What are the key properties of (6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone?
(6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone has a molecular weight of 318.20 g/mol, XLogP of 5.02, 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)-(3-chloro-5-methylphenyl)methanone is sourced from PubChem (CID 116651068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).