N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide

C18H17IN2O2 — CID 121179834

IUPACN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide
SMILESCn1ccc2cc(C(O)CNC(=O)c3ccccc3I)ccc21
InChIInChI=1S/C18H17IN2O2/c1-21-9-8-12-10-13(6-7-16(12)21)17(22)11-20-18(23)14-4-2-3-5-15(14)19/h2-10,17,22H,11H2,1H3,(H,20,23)
InChIKeyYQAVMOMNTMEZSX-UHFFFAOYSA-N
MW420.25 g/mol
LogP3.25
Rot. Bonds4

About N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide

N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide (PubChem CID 121179834) has the molecular formula C18H17IN2O2 and a molecular weight of 420.25 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide
PubChem CID121179834
Molecular FormulaC18H17IN2O2
Molecular Weight420.25 g/mol
Exact Mass420.03
IUPAC NameN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide
SMILESCn1ccc2cc(C(O)CNC(=O)c3ccccc3I)ccc21
InChIInChI=1S/C18H17IN2O2/c1-21-9-8-12-10-13(6-7-16(12)21)17(22)11-20-18(23)14-4-2-3-5-15(14)19/h2-10,17,22H,11H2,1H3,(H,20,23)
InChIKeyYQAVMOMNTMEZSX-UHFFFAOYSA-N
XLogP3.25
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.25
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 124843487
5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179831
methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate
CID 91817661
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 124843514
4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179729
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide
CID 121179738
N'-tert-butyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179966
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide
CID 124760949
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 121179976
3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide
CID 121179845
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121180011

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide (CID 121179834) is N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide is Cn1ccc2cc(C(O)CNC(=O)c3ccccc3I)ccc21.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide?
The InChIKey is YQAVMOMNTMEZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17IN2O2/c1-21-9-8-12-10-13(6-7-16(12)21)17(22)11-20-18(23)14-4-2-3-5-15(14)19/h2-10,17,22H,11H2,1H3,(H,20,23).
What are the key properties of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide?
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide has a molecular weight of 420.25 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide is sourced from PubChem (CID 121179834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).