5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide

C16H15BrFNO2 — CID 54788444

IUPAC5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H15BrFNO2/c1-2-8-21-15-7-6-11(17)9-14(15)16(20)19-13-5-3-4-12(18)10-13/h3-7,9-10H,2,8H2,1H3,(H,19,20)
InChIKeyPPYAQTZJFMTJPZ-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.63
Rot. Bonds5

About 5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide

5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide (PubChem CID 54788444) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide
PubChem CID54788444
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H15BrFNO2/c1-2-8-21-15-7-6-11(17)9-14(15)16(20)19-13-5-3-4-12(18)10-13/h3-7,9-10H,2,8H2,1H3,(H,19,20)
InChIKeyPPYAQTZJFMTJPZ-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide 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-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 26159081
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 26164769
N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide
CID 17189847
N-(3-acetamidophenyl)-5-bromo-2-hexoxybenzamide
CID 17189846
5-bromo-N-(4-chlorophenyl)-2-propoxybenzamide
CID 17351377
5-bromo-N-(4-iodophenyl)-2-propoxybenzamide
CID 17351391
5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096800
5-bromo-N-(3-fluorophenyl)-2-methylbenzamide
CID 65306774
5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide
CID 17351460
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
5-bromo-2-butoxy-N-[3-(tert-butylcarbamoyl)phenyl]benzamide
CID 28639499
5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide
CID 17351533

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide?
The IUPAC name of 5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide (CID 54788444) is 5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide.
What is the SMILES notation for 5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide?
The canonical SMILES for 5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide is CCCOc1ccc(Br)cc1C(=O)Nc1cccc(F)c1.
What is the InChIKey of 5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide?
The InChIKey is PPYAQTZJFMTJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-2-8-21-15-7-6-11(17)9-14(15)16(20)19-13-5-3-4-12(18)10-13/h3-7,9-10H,2,8H2,1H3,(H,19,20).
What are the key properties of 5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide?
5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide has a molecular weight of 352.20 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide is sourced from PubChem (CID 54788444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).