3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide

C20H21BrN2O2 — CID 121179845

IUPAC3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide
SMILESCn1ccc2cc(C(O)CNC(=O)CCc3ccccc3Br)ccc21
InChIInChI=1S/C20H21BrN2O2/c1-23-11-10-15-12-16(6-8-18(15)23)19(24)13-22-20(25)9-7-14-4-2-3-5-17(14)21/h2-6,8,10-12,19,24H,7,9,13H2,1H3,(H,22,25)
InChIKeyHLXPBNUZGUOEBG-UHFFFAOYSA-N
MW401.30 g/mol
LogP3.72
Rot. Bonds6

About 3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide

3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide (PubChem CID 121179845) has the molecular formula C20H21BrN2O2 and a molecular weight of 401.30 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide
PubChem CID121179845
Molecular FormulaC20H21BrN2O2
Molecular Weight401.30 g/mol
Exact Mass400.08
IUPAC Name3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide
SMILESCn1ccc2cc(C(O)CNC(=O)CCc3ccccc3Br)ccc21
InChIInChI=1S/C20H21BrN2O2/c1-23-11-10-15-12-16(6-8-18(15)23)19(24)13-22-20(25)9-7-14-4-2-3-5-17(14)21/h2-6,8,10-12,19,24H,7,9,13H2,1H3,(H,22,25)
InChIKeyHLXPBNUZGUOEBG-UHFFFAOYSA-N
XLogP3.72
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide
CID 124760949
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 124843514
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967
3-(2-bromophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 99873935
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide
CID 121179834
N'-tert-butyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179966
2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 124843487
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 121179976
5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179831
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 121180021
methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate
CID 91817661
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121180011

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide (CID 121179845) is 3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide is Cn1ccc2cc(C(O)CNC(=O)CCc3ccccc3Br)ccc21.
What is the InChIKey of 3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide?
The InChIKey is HLXPBNUZGUOEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O2/c1-23-11-10-15-12-16(6-8-18(15)23)19(24)13-22-20(25)9-7-14-4-2-3-5-17(14)21/h2-6,8,10-12,19,24H,7,9,13H2,1H3,(H,22,25).
What are the key properties of 3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide?
3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide has a molecular weight of 401.30 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide is sourced from PubChem (CID 121179845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).