N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide

C17H16N2O2 — CID 14475426

IUPACN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(O)cc12)c1ccccc1
InChIInChI=1S/C17H16N2O2/c20-14-6-7-16-15(10-14)13(11-19-16)8-9-18-17(21)12-4-2-1-3-5-12/h1-7,10-11,19-20H,8-9H2,(H,18,21)
InChIKeyLEVVVSCHUXPJJR-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.85
Rot. Bonds4

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

N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide (PubChem CID 14475426) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide
PubChem CID14475426
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(O)cc12)c1ccccc1
InChIInChI=1S/C17H16N2O2/c20-14-6-7-16-15(10-14)13(11-19-16)8-9-18-17(21)12-4-2-1-3-5-12/h1-7,10-11,19-20H,8-9H2,(H,18,21)
InChIKeyLEVVVSCHUXPJJR-UHFFFAOYSA-N
XLogP2.85
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide (CID 14475426) is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide is O=C(NCCc1c[nH]c2ccc(O)cc12)c1ccccc1.
What is the InChIKey of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is LEVVVSCHUXPJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-14-6-7-16-15(10-14)13(11-19-16)8-9-18-17(21)12-4-2-1-3-5-12/h1-7,10-11,19-20H,8-9H2,(H,18,21).
What are the key properties of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide?
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 14475426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).