N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-3-ylcarbamoylamino)benzamide

C23H20FN5O2 — CID 154724354

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-3-ylcarbamoylamino)benzamide
SMILESO=C(Nc1cccnc1)Nc1ccccc1C(=O)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C23H20FN5O2/c24-16-7-8-20-19(12-16)15(13-27-20)9-11-26-22(30)18-5-1-2-6-21(18)29-23(31)28-17-4-3-10-25-14-17/h1-8,10,12-14,27H,9,11H2,(H,26,30)(H2,28,29,31)
InChIKeyBDAVUZXMMBLYPJ-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.32
Rot. Bonds6

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-3-ylcarbamoylamino)benzamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-3-ylcarbamoylamino)benzamide (PubChem CID 154724354) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-3-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-3-ylcarbamoylamino)benzamide
PubChem CID154724354
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-3-ylcarbamoylamino)benzamide
SMILESO=C(Nc1cccnc1)Nc1ccccc1C(=O)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C23H20FN5O2/c24-16-7-8-20-19(12-16)15(13-27-20)9-11-26-22(30)18-5-1-2-6-21(18)29-23(31)28-17-4-3-10-25-14-17/h1-8,10,12-14,27H,9,11H2,(H,26,30)(H2,28,29,31)
InChIKeyBDAVUZXMMBLYPJ-UHFFFAOYSA-N
XLogP4.32
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 110731484
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide
CID 167846587
2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 168786739
2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245347
N-tert-butyl-2-[2-(6-fluoro-1H-indol-3-yl)ethylcarbamoylamino]benzamide
CID 86973089
5-fluoro-2-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 175363337
phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 69217510
2-[[2-(5-hydroxy-1H-indol-3-yl)ethylamino]methyl]-N-[(E)-4-pyridin-3-ylbut-3-enyl]benzamide
CID 23544141
2-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide
CID 111889163
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
2-anilino-N-[2-(5-ethyl-1H-indol-3-yl)ethyl]benzamide
CID 175502809

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-3-ylcarbamoylamino)benzamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-3-ylcarbamoylamino)benzamide (CID 154724354) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-3-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-3-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-3-ylcarbamoylamino)benzamide is O=C(Nc1cccnc1)Nc1ccccc1C(=O)NCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-3-ylcarbamoylamino)benzamide?
The InChIKey is BDAVUZXMMBLYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c24-16-7-8-20-19(12-16)15(13-27-20)9-11-26-22(30)18-5-1-2-6-21(18)29-23(31)28-17-4-3-10-25-14-17/h1-8,10,12-14,27H,9,11H2,(H,26,30)(H2,28,29,31).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-3-ylcarbamoylamino)benzamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-3-ylcarbamoylamino)benzamide has a molecular weight of 417.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(pyridin-3-ylcarbamoylamino)benzamide is sourced from PubChem (CID 154724354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).