5-bromo-2-hydroxy-N-phenacylbenzamide

C15H12BrNO3 — CID 106737181

IUPAC5-bromo-2-hydroxy-N-phenacylbenzamide
SMILESO=C(CNC(=O)c1cc(Br)ccc1O)c1ccccc1
InChIInChI=1S/C15H12BrNO3/c16-11-6-7-13(18)12(8-11)15(20)17-9-14(19)10-4-2-1-3-5-10/h1-8,18H,9H2,(H,17,20)
InChIKeyYLLAAINGLIQTAM-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.77
Rot. Bonds4

About 5-bromo-2-hydroxy-N-phenacylbenzamide

5-bromo-2-hydroxy-N-phenacylbenzamide (PubChem CID 106737181) has the molecular formula C15H12BrNO3 and a molecular weight of 334.17 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-phenacylbenzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-phenacylbenzamide
PubChem CID106737181
Molecular FormulaC15H12BrNO3
Molecular Weight334.17 g/mol
Exact Mass333.00
IUPAC Name5-bromo-2-hydroxy-N-phenacylbenzamide
SMILESO=C(CNC(=O)c1cc(Br)ccc1O)c1ccccc1
InChIInChI=1S/C15H12BrNO3/c16-11-6-7-13(18)12(8-11)15(20)17-9-14(19)10-4-2-1-3-5-10/h1-8,18H,9H2,(H,17,20)
InChIKeyYLLAAINGLIQTAM-UHFFFAOYSA-N
XLogP2.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2-fluorophenyl)methyl]-2-hydroxybenzamide
CID 27163577
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide
CID 55816021
N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide
CID 104872204
5-bromo-N-but-2-ynyl-2-hydroxybenzamide
CID 103871171
3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 5254471
5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide
CID 107730547
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107729441
5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 35979072
3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium
CID 7188682
N-phenacyl-1-benzofuran-3-carboxamide
CID 64991447
N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide
CID 107729215

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-phenacylbenzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-phenacylbenzamide (CID 106737181) is 5-bromo-2-hydroxy-N-phenacylbenzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-phenacylbenzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-phenacylbenzamide is O=C(CNC(=O)c1cc(Br)ccc1O)c1ccccc1.
What is the InChIKey of 5-bromo-2-hydroxy-N-phenacylbenzamide?
The InChIKey is YLLAAINGLIQTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO3/c16-11-6-7-13(18)12(8-11)15(20)17-9-14(19)10-4-2-1-3-5-10/h1-8,18H,9H2,(H,17,20).
What are the key properties of 5-bromo-2-hydroxy-N-phenacylbenzamide?
5-bromo-2-hydroxy-N-phenacylbenzamide has a molecular weight of 334.17 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-phenacylbenzamide is sourced from PubChem (CID 106737181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).