5-chloro-N-(2-hydroxy-1-phenylethyl)-1-methylindole-2-carboxamide

C18H17ClN2O2 — CID 155516426

IUPAC5-chloro-N-(2-hydroxy-1-phenylethyl)-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NC(CO)c2ccccc2)cc2cc(Cl)ccc21
InChIInChI=1S/C18H17ClN2O2/c1-21-16-8-7-14(19)9-13(16)10-17(21)18(23)20-15(11-22)12-5-3-2-4-6-12/h2-10,15,22H,11H2,1H3,(H,20,23)
InChIKeyPIWRIMOCAQYEKE-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.30
Rot. Bonds4

About 5-chloro-N-(2-hydroxy-1-phenylethyl)-1-methylindole-2-carboxamide

5-chloro-N-(2-hydroxy-1-phenylethyl)-1-methylindole-2-carboxamide (PubChem CID 155516426) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxy-1-phenylethyl)-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxy-1-phenylethyl)-1-methylindole-2-carboxamide
PubChem CID155516426
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name5-chloro-N-(2-hydroxy-1-phenylethyl)-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NC(CO)c2ccccc2)cc2cc(Cl)ccc21
InChIInChI=1S/C18H17ClN2O2/c1-21-16-8-7-14(19)9-13(16)10-17(21)18(23)20-15(11-22)12-5-3-2-4-6-12/h2-10,15,22H,11H2,1H3,(H,20,23)
InChIKeyPIWRIMOCAQYEKE-UHFFFAOYSA-N
XLogP3.30
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxy-1-phenylethyl)-1-methylindole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-hydroxy-1-phenylethyl)-1-methylindole-2-carboxamide (CID 155516426) is 5-chloro-N-(2-hydroxy-1-phenylethyl)-1-methylindole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxy-1-phenylethyl)-1-methylindole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-hydroxy-1-phenylethyl)-1-methylindole-2-carboxamide is Cn1c(C(=O)NC(CO)c2ccccc2)cc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-(2-hydroxy-1-phenylethyl)-1-methylindole-2-carboxamide?
The InChIKey is PIWRIMOCAQYEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-21-16-8-7-14(19)9-13(16)10-17(21)18(23)20-15(11-22)12-5-3-2-4-6-12/h2-10,15,22H,11H2,1H3,(H,20,23).
What are the key properties of 5-chloro-N-(2-hydroxy-1-phenylethyl)-1-methylindole-2-carboxamide?
5-chloro-N-(2-hydroxy-1-phenylethyl)-1-methylindole-2-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxy-1-phenylethyl)-1-methylindole-2-carboxamide is sourced from PubChem (CID 155516426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).