3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide

C16H15BrFNO2 — CID 107952344

IUPAC3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C16H15BrFNO2/c1-2-9-21-13-6-4-12(5-7-13)19-16(20)11-3-8-15(18)14(17)10-11/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyDZKSJGGKIJJHKK-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.63
Rot. Bonds5

About 3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide

3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide (PubChem CID 107952344) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide
PubChem CID107952344
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C16H15BrFNO2/c1-2-9-21-13-6-4-12(5-7-13)19-16(20)11-3-8-15(18)14(17)10-11/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyDZKSJGGKIJJHKK-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

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Related Compounds

4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide
CID 103885194
3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
CID 17073835
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674
3-bromo-N-(4-heptoxyphenyl)-4-hexoxybenzamide
CID 4959571
3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide
CID 17067040
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide
CID 103706990
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
CID 17342671
3-bromo-4-butoxy-N-(3-chloro-4-fluorophenyl)benzamide
CID 4955807
3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide
CID 107956665
N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide
CID 104781544
3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide
CID 103706313

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide (CID 107952344) is 3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide is CCCOc1ccc(NC(=O)c2ccc(F)c(Br)c2)cc1.
What is the InChIKey of 3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide?
The InChIKey is DZKSJGGKIJJHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-2-9-21-13-6-4-12(5-7-13)19-16(20)11-3-8-15(18)14(17)10-11/h3-8,10H,2,9H2,1H3,(H,19,20).
What are the key properties of 3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide?
3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide 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 3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide is sourced from PubChem (CID 107952344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).