(3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone

C17H13Br2NO — CID 107979602

IUPAC(3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone
SMILESCCc1cccc2c(C(=O)c3cc(Br)cc(Br)c3)c[nH]c12
InChIInChI=1S/C17H13Br2NO/c1-2-10-4-3-5-14-15(9-20-16(10)14)17(21)11-6-12(18)8-13(19)7-11/h3-9,20H,2H2,1H3
InChIKeyMTOODUCUTZVIRB-UHFFFAOYSA-N
MW407.11 g/mol
LogP5.49
Rot. Bonds3

About (3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone

(3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone (PubChem CID 107979602) has the molecular formula C17H13Br2NO and a molecular weight of 407.11 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone
PubChem CID107979602
Molecular FormulaC17H13Br2NO
Molecular Weight407.11 g/mol
Exact Mass404.94
IUPAC Name(3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone
SMILESCCc1cccc2c(C(=O)c3cc(Br)cc(Br)c3)c[nH]c12
InChIInChI=1S/C17H13Br2NO/c1-2-10-4-3-5-14-15(9-20-16(10)14)17(21)11-6-12(18)8-13(19)7-11/h3-9,20H,2H2,1H3
InChIKeyMTOODUCUTZVIRB-UHFFFAOYSA-N
XLogP5.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.11
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone?
The IUPAC name of (3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone (CID 107979602) is (3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone?
The canonical SMILES for (3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone is CCc1cccc2c(C(=O)c3cc(Br)cc(Br)c3)c[nH]c12.
What is the InChIKey of (3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone?
The InChIKey is MTOODUCUTZVIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Br2NO/c1-2-10-4-3-5-14-15(9-20-16(10)14)17(21)11-6-12(18)8-13(19)7-11/h3-9,20H,2H2,1H3.
What are the key properties of (3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone?
(3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone has a molecular weight of 407.11 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 107979602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).