(2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone

C17H13BrClNO — CID 107987127

IUPAC(2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
SMILESCCc1cccc2c(C(=O)c3ccc(Cl)cc3Br)c[nH]c12
InChIInChI=1S/C17H13BrClNO/c1-2-10-4-3-5-12-14(9-20-16(10)12)17(21)13-7-6-11(19)8-15(13)18/h3-9,20H,2H2,1H3
InChIKeyMLMKWJCKTYGMKI-UHFFFAOYSA-N
MW362.65 g/mol
LogP5.38
Rot. Bonds3

About (2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone

(2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone (PubChem CID 107987127) has the molecular formula C17H13BrClNO and a molecular weight of 362.65 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
PubChem CID107987127
Molecular FormulaC17H13BrClNO
Molecular Weight362.65 g/mol
Exact Mass360.99
IUPAC Name(2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
SMILESCCc1cccc2c(C(=O)c3ccc(Cl)cc3Br)c[nH]c12
InChIInChI=1S/C17H13BrClNO/c1-2-10-4-3-5-12-14(9-20-16(10)12)17(21)13-7-6-11(19)8-15(13)18/h3-9,20H,2H2,1H3
InChIKeyMLMKWJCKTYGMKI-UHFFFAOYSA-N
XLogP5.38
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 107979602
(2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 43339323
(4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone
CID 80537318
(7-ethyl-1H-indol-3-yl)-(2-fluorophenyl)methanone
CID 43161290
(7-ethyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339331
(7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63491466
(2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 43339292
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7873308
(4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 82779402
(2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475626
(E)-3-(7-ethyl-1H-indol-3-yl)but-2-enoic acid
CID 76847737
(5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone
CID 107949887

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone?
The IUPAC name of (2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone (CID 107987127) is (2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone is CCc1cccc2c(C(=O)c3ccc(Cl)cc3Br)c[nH]c12.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone?
The InChIKey is MLMKWJCKTYGMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClNO/c1-2-10-4-3-5-12-14(9-20-16(10)12)17(21)13-7-6-11(19)8-15(13)18/h3-9,20H,2H2,1H3.
What are the key properties of (2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone?
(2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone has a molecular weight of 362.65 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 107987127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).