3-bromo-5-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide

C15H13BrFNO2 — CID 61221441

IUPAC3-bromo-5-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H13BrFNO2/c16-12-7-11(8-13(17)9-12)15(20)18-14-3-1-10(2-4-14)5-6-19/h1-4,7-9,19H,5-6H2,(H,18,20)
InChIKeySGECILCJRFHOLU-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.38
Rot. Bonds4

About 3-bromo-5-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide

3-bromo-5-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide (PubChem CID 61221441) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
PubChem CID61221441
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name3-bromo-5-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H13BrFNO2/c16-12-7-11(8-13(17)9-12)15(20)18-14-3-1-10(2-4-14)5-6-19/h1-4,7-9,19H,5-6H2,(H,18,20)
InChIKeySGECILCJRFHOLU-UHFFFAOYSA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-fluoro-N-[4-(2-hydroxyethyl)phenyl]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

3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
CID 63529818
3-bromo-5-fluoro-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 55892094
3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide
CID 63935702
3,5-dibromo-N-(3,5-difluorophenyl)benzamide
CID 107980035
3-bromo-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzamide
CID 55704215
3-bromo-N-[3-(ethylaminomethyl)phenyl]-5-fluorobenzamide
CID 43601129
3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 103956147
3-fluoro-N-(4-propylphenyl)benzamide
CID 26178121
3-bromo-N-[3-[(dimethylamino)methyl]phenyl]-5-fluorobenzamide
CID 86990495
3-bromo-N-[4-(dimethylamino)-3-methylphenyl]-5-fluorobenzamide
CID 55713089
N-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide
CID 104627400
3-bromo-5-chloro-N-(4-ethylphenyl)benzamide
CID 107951503

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide (CID 61221441) is 3-bromo-5-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide is O=C(Nc1ccc(CCO)cc1)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide?
The InChIKey is SGECILCJRFHOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c16-12-7-11(8-13(17)9-12)15(20)18-14-3-1-10(2-4-14)5-6-19/h1-4,7-9,19H,5-6H2,(H,18,20).
What are the key properties of 3-bromo-5-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide?
3-bromo-5-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide has a molecular weight of 338.18 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide is sourced from PubChem (CID 61221441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).