5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide

C17H18BrNO3 — CID 110611985

IUPAC5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)NCCCc1ccc(O)cc1
InChIInChI=1S/C17H18BrNO3/c1-22-16-9-6-13(18)11-15(16)17(21)19-10-2-3-12-4-7-14(20)8-5-12/h4-9,11,20H,2-3,10H2,1H3,(H,19,21)
InChIKeyFSJMUDLBTGNRHC-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.53
Rot. Bonds6

About 5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide

5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide (PubChem CID 110611985) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide
PubChem CID110611985
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)NCCCc1ccc(O)cc1
InChIInChI=1S/C17H18BrNO3/c1-22-16-9-6-13(18)11-15(16)17(21)19-10-2-3-12-4-7-14(20)8-5-12/h4-9,11,20H,2-3,10H2,1H3,(H,19,21)
InChIKeyFSJMUDLBTGNRHC-UHFFFAOYSA-N
XLogP3.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide 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

5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208
5-bromo-N-heptyl-2-methoxybenzamide
CID 17094234
methyl 4-[(5-bromo-2-methoxybenzoyl)amino]butanoate
CID 113241279
5-bromo-2-methoxy-N'-methylbenzohydrazide
CID 116846857
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
4-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 22346935
5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide
CID 17046177
2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide
CID 4796456
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 115577613
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide (CID 110611985) is 5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)NCCCc1ccc(O)cc1.
What is the InChIKey of 5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide?
The InChIKey is FSJMUDLBTGNRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-22-16-9-6-13(18)11-15(16)17(21)19-10-2-3-12-4-7-14(20)8-5-12/h4-9,11,20H,2-3,10H2,1H3,(H,19,21).
What are the key properties of 5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide?
5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide has a molecular weight of 364.24 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(4-hydroxyphenyl)propyl]-2-methoxybenzamide is sourced from PubChem (CID 110611985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).