2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide

C22H23BrN2O3 — CID 91303928

IUPAC2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide
SMILESCCCCC(C(N)=O)c1c(C)n(C(=O)c2ccc(Br)cc2)c2ccc(O)cc12
InChIInChI=1S/C22H23BrN2O3/c1-3-4-5-17(21(24)27)20-13(2)25(19-11-10-16(26)12-18(19)20)22(28)14-6-8-15(23)9-7-14/h6-12,17,26H,3-5H2,1-2H3,(H2,24,27)
InChIKeyGLRJGAHECMBLLS-UHFFFAOYSA-N
MW443.34 g/mol
LogP4.87
Rot. Bonds6

About 2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide

2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide (PubChem CID 91303928) has the molecular formula C22H23BrN2O3 and a molecular weight of 443.34 g/mol. Its IUPAC name is 2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide.

Molecular Properties

Compound Name2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide
PubChem CID91303928
Molecular FormulaC22H23BrN2O3
Molecular Weight443.34 g/mol
Exact Mass442.09
IUPAC Name2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide
SMILESCCCCC(C(N)=O)c1c(C)n(C(=O)c2ccc(Br)cc2)c2ccc(O)cc12
InChIInChI=1S/C22H23BrN2O3/c1-3-4-5-17(21(24)27)20-13(2)25(19-11-10-16(26)12-18(19)20)22(28)14-6-8-15(23)9-7-14/h6-12,17,26H,3-5H2,1-2H3,(H2,24,27)
InChIKeyGLRJGAHECMBLLS-UHFFFAOYSA-N
XLogP4.87
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.34
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide?
The IUPAC name of 2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide (CID 91303928) is 2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide.
What is the SMILES notation for 2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide?
The canonical SMILES for 2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide is CCCCC(C(N)=O)c1c(C)n(C(=O)c2ccc(Br)cc2)c2ccc(O)cc12.
What is the InChIKey of 2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide?
The InChIKey is GLRJGAHECMBLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O3/c1-3-4-5-17(21(24)27)20-13(2)25(19-11-10-16(26)12-18(19)20)22(28)14-6-8-15(23)9-7-14/h6-12,17,26H,3-5H2,1-2H3,(H2,24,27).
What are the key properties of 2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide?
2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide has a molecular weight of 443.34 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromobenzoyl)-5-hydroxy-2-methylindol-3-yl]hexanamide is sourced from PubChem (CID 91303928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).