(4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone

C17H13BrClNO — CID 116546991

IUPAC(4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3ccc(Br)c(Cl)c3)cn(C)c2c1
InChIInChI=1S/C17H13BrClNO/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
InChIKeyLWGVBNMSZYCJOE-UHFFFAOYSA-N
MW362.65 g/mol
LogP5.13
Rot. Bonds2

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

(4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone (PubChem CID 116546991) has the molecular formula C17H13BrClNO and a molecular weight of 362.65 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
PubChem CID116546991
Molecular FormulaC17H13BrClNO
Molecular Weight362.65 g/mol
Exact Mass360.99
IUPAC Name(4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3ccc(Br)c(Cl)c3)cn(C)c2c1
InChIInChI=1S/C17H13BrClNO/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
InChIKeyLWGVBNMSZYCJOE-UHFFFAOYSA-N
XLogP5.13
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116546949
(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-aminophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547133
(5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547115
(3-bromo-2-methylphenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547071
(1,6-dimethylindol-3-yl)-(5-methylfuran-3-yl)methanone
CID 114819754
(4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970869
(6-chloro-1-methylindol-3-yl)-(3,5-dimethylphenyl)methanone
CID 116650948
(5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone
CID 116546989
(6-chloro-1-methylindol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 116651068
(1,6-dimethylindol-3-yl)-(2-methylfuran-3-yl)methanone
CID 116546982

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone?
The IUPAC name of (4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone (CID 116546991) is (4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone is Cc1ccc2c(C(=O)c3ccc(Br)c(Cl)c3)cn(C)c2c1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone?
The InChIKey is LWGVBNMSZYCJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClNO/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 (4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone?
(4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone has a molecular weight of 362.65 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone is sourced from PubChem (CID 116546991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).