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

C18H17ClN2O2 — CID 155551449

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1O
InChIInChI=1S/C18H17ClN2O2/c1-11-3-2-4-14(17(11)22)18(23)20-8-7-12-10-21-16-6-5-13(19)9-15(12)16/h2-6,9-10,21-22H,7-8H2,1H3,(H,20,23)
InChIKeyUKOSLUAZAPKBEC-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.81
Rot. Bonds4

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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-hydroxy-3-methylbenzamide (PubChem CID 155551449) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-hydroxy-3-methylbenzamide
PubChem CID155551449
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1O
InChIInChI=1S/C18H17ClN2O2/c1-11-3-2-4-14(17(11)22)18(23)20-8-7-12-10-21-16-6-5-13(19)9-15(12)16/h2-6,9-10,21-22H,7-8H2,1H3,(H,20,23)
InChIKeyUKOSLUAZAPKBEC-UHFFFAOYSA-N
XLogP3.81
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-hydroxy-3-methylbenzamide (CID 155551449) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1O.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-hydroxy-3-methylbenzamide?
The InChIKey is UKOSLUAZAPKBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11-3-2-4-14(17(11)22)18(23)20-8-7-12-10-21-16-6-5-13(19)9-15(12)16/h2-6,9-10,21-22H,7-8H2,1H3,(H,20,23).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-hydroxy-3-methylbenzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-hydroxy-3-methylbenzamide has a molecular weight of 328.80 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 155551449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).