(3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone

C17H13Cl2NO — CID 116546949

IUPAC(3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3ccc(Cl)c(Cl)c3)cn(C)c2c1
InChIInChI=1S/C17H13Cl2NO/c1-10-3-5-12-13(9-20(2)16(12)7-10)17(21)11-4-6-14(18)15(19)8-11/h3-9H,1-2H3
InChIKeyDQFBCVCUWQFOFN-UHFFFAOYSA-N
MW318.20 g/mol
LogP5.02
Rot. Bonds2

About (3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone

(3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone (PubChem CID 116546949) has the molecular formula C17H13Cl2NO and a molecular weight of 318.20 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone
PubChem CID116546949
Molecular FormulaC17H13Cl2NO
Molecular Weight318.20 g/mol
Exact Mass317.04
IUPAC Name(3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3ccc(Cl)c(Cl)c3)cn(C)c2c1
InChIInChI=1S/C17H13Cl2NO/c1-10-3-5-12-13(9-20(2)16(12)7-10)17(21)11-4-6-14(18)15(19)8-11/h3-9H,1-2H3
InChIKeyDQFBCVCUWQFOFN-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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Related Compounds

(3-chloro-4-methylphenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547045
(4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547144
(4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116546991
(4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547133
(1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone
CID 114819754
(6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone
CID 116650948
(6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 116651068
(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 43625949
(3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone
CID 60706257
(1,6-dimethylindol-3-yl)-(2-methylfuran-3-yl)methanone
CID 116546982
(3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547071
1-(1,6-dimethylindol-3-yl)-2,2-difluoroethanone
CID 103513702

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone (CID 116546949) is (3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone is Cc1ccc2c(C(=O)c3ccc(Cl)c(Cl)c3)cn(C)c2c1.
What is the InChIKey of (3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone?
The InChIKey is DQFBCVCUWQFOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO/c1-10-3-5-12-13(9-20(2)16(12)7-10)17(21)11-4-6-14(18)15(19)8-11/h3-9H,1-2H3.
What are the key properties of (3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone?
(3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)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 (3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone is sourced from PubChem (CID 116546949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).