3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide

C26H26FN3O2 — CID 129206354

IUPAC3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide
SMILESCN(C)CCCn1ccc2cc(Oc3cccc(C(=O)Nc4ccc(F)cc4)c3)ccc21
InChIInChI=1S/C26H26FN3O2/c1-29(2)14-4-15-30-16-13-19-17-24(11-12-25(19)30)32-23-6-3-5-20(18-23)26(31)28-22-9-7-21(27)8-10-22/h3,5-13,16-18H,4,14-15H2,1-2H3,(H,28,31)
InChIKeyBUHADUWBCHJFDU-UHFFFAOYSA-N
MW431.51 g/mol
LogP5.78
Rot. Bonds8

About 3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide

3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide (PubChem CID 129206354) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide
PubChem CID129206354
Molecular FormulaC26H26FN3O2
Molecular Weight431.51 g/mol
Exact Mass431.20
IUPAC Name3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide
SMILESCN(C)CCCn1ccc2cc(Oc3cccc(C(=O)Nc4ccc(F)cc4)c3)ccc21
InChIInChI=1S/C26H26FN3O2/c1-29(2)14-4-15-30-16-13-19-17-24(11-12-25(19)30)32-23-6-3-5-20(18-23)26(31)28-22-9-7-21(27)8-10-22/h3,5-13,16-18H,4,14-15H2,1-2H3,(H,28,31)
InChIKeyBUHADUWBCHJFDU-UHFFFAOYSA-N
XLogP5.78
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.51
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide?
The IUPAC name of 3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide (CID 129206354) is 3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide is CN(C)CCCn1ccc2cc(Oc3cccc(C(=O)Nc4ccc(F)cc4)c3)ccc21.
What is the InChIKey of 3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide?
The InChIKey is BUHADUWBCHJFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O2/c1-29(2)14-4-15-30-16-13-19-17-24(11-12-25(19)30)32-23-6-3-5-20(18-23)26(31)28-22-9-7-21(27)8-10-22/h3,5-13,16-18H,4,14-15H2,1-2H3,(H,28,31).
What are the key properties of 3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide?
3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide has a molecular weight of 431.51 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 129206354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).