(5-bromo-1-ethylindol-3-yl)-(4-chlorophenyl)methanone

C17H13BrClNO — CID 15312697

IUPAC(5-bromo-1-ethylindol-3-yl)-(4-chlorophenyl)methanone
SMILESCCn1cc(C(=O)c2ccc(Cl)cc2)c2cc(Br)ccc21
InChIInChI=1S/C17H13BrClNO/c1-2-20-10-15(14-9-12(18)5-8-16(14)20)17(21)11-3-6-13(19)7-4-11/h3-10H,2H2,1H3
InChIKeyCKDYQEKSLWLYTI-UHFFFAOYSA-N
MW362.65 g/mol
LogP5.31
Rot. Bonds3

About (5-bromo-1-ethylindol-3-yl)-(4-chlorophenyl)methanone

(5-bromo-1-ethylindol-3-yl)-(4-chlorophenyl)methanone (PubChem CID 15312697) has the molecular formula C17H13BrClNO and a molecular weight of 362.65 g/mol. Its IUPAC name is (5-bromo-1-ethylindol-3-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-1-ethylindol-3-yl)-(4-chlorophenyl)methanone
PubChem CID15312697
Molecular FormulaC17H13BrClNO
Molecular Weight362.65 g/mol
Exact Mass360.99
IUPAC Name(5-bromo-1-ethylindol-3-yl)-(4-chlorophenyl)methanone
SMILESCCn1cc(C(=O)c2ccc(Cl)cc2)c2cc(Br)ccc21
InChIInChI=1S/C17H13BrClNO/c1-2-20-10-15(14-9-12(18)5-8-16(14)20)17(21)11-3-6-13(19)7-4-11/h3-10H,2H2,1H3
InChIKeyCKDYQEKSLWLYTI-UHFFFAOYSA-N
XLogP5.31
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-ethylindol-3-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (5-bromo-1-ethylindol-3-yl)-(4-chlorophenyl)methanone (CID 15312697) is (5-bromo-1-ethylindol-3-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (5-bromo-1-ethylindol-3-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (5-bromo-1-ethylindol-3-yl)-(4-chlorophenyl)methanone is CCn1cc(C(=O)c2ccc(Cl)cc2)c2cc(Br)ccc21.
What is the InChIKey of (5-bromo-1-ethylindol-3-yl)-(4-chlorophenyl)methanone?
The InChIKey is CKDYQEKSLWLYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClNO/c1-2-20-10-15(14-9-12(18)5-8-16(14)20)17(21)11-3-6-13(19)7-4-11/h3-10H,2H2,1H3.
What are the key properties of (5-bromo-1-ethylindol-3-yl)-(4-chlorophenyl)methanone?
(5-bromo-1-ethylindol-3-yl)-(4-chlorophenyl)methanone has a molecular weight of 362.65 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-ethylindol-3-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 15312697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).