2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide

C18H17BrN2O2 — CID 71788673

IUPAC2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
SMILESCn1cc(C(O)CNC(=O)c2ccccc2Br)c2ccccc21
InChIInChI=1S/C18H17BrN2O2/c1-21-11-14(12-6-3-5-9-16(12)21)17(22)10-20-18(23)13-7-2-4-8-15(13)19/h2-9,11,17,22H,10H2,1H3,(H,20,23)
InChIKeyYMCGJIFLNYLONV-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.40
Rot. Bonds4

About 2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide

2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide (PubChem CID 71788673) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
PubChem CID71788673
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
SMILESCn1cc(C(O)CNC(=O)c2ccccc2Br)c2ccccc21
InChIInChI=1S/C18H17BrN2O2/c1-21-11-14(12-6-3-5-9-16(12)21)17(22)10-20-18(23)13-7-2-4-8-15(13)19/h2-9,11,17,22H,10H2,1H3,(H,20,23)
InChIKeyYMCGJIFLNYLONV-UHFFFAOYSA-N
XLogP3.40
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide 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

N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-trimethoxybenzamide
CID 97414057
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide
CID 90535044
4-(dimethylamino)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 90535031
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide
CID 90535046
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 90535108
1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535339
N'-(3,5-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535242
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535246
1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 71788722
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]acetamide
CID 97414049
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 71788660
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 71788669

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide (CID 71788673) is 2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide is Cn1cc(C(O)CNC(=O)c2ccccc2Br)c2ccccc21.
What is the InChIKey of 2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide?
The InChIKey is YMCGJIFLNYLONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-21-11-14(12-6-3-5-9-16(12)21)17(22)10-20-18(23)13-7-2-4-8-15(13)19/h2-9,11,17,22H,10H2,1H3,(H,20,23).
What are the key properties of 2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide?
2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide has a molecular weight of 373.25 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide is sourced from PubChem (CID 71788673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).