3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide

C16H15BrFNO2 — CID 17342674

IUPAC3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1Br
InChIInChI=1S/C16H15BrFNO2/c1-2-9-21-15-8-3-11(10-14(15)17)16(20)19-13-6-4-12(18)5-7-13/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyFYPRKRYQMIJYDL-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.63
Rot. Bonds5

About 3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide

3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide (PubChem CID 17342674) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
PubChem CID17342674
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1Br
InChIInChI=1S/C16H15BrFNO2/c1-2-9-21-15-8-3-11(10-14(15)17)16(20)19-13-6-4-12(18)5-7-13/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyFYPRKRYQMIJYDL-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

3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
CID 17342671
3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
CID 17073835
3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 17342688
3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide
CID 17096782
3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide
CID 17067040
3-bromo-N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-4-propoxybenzamide
CID 26166839
N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide
CID 28639983
3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide
CID 17355174
3-bromo-N-(4-heptoxyphenyl)-4-hexoxybenzamide
CID 4959571
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-3-bromo-4-propoxybenzamide
CID 17342800
3-bromo-4-butoxy-N-(3-chloro-4-fluorophenyl)benzamide
CID 4955807

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide (CID 17342674) is 3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1Br.
What is the InChIKey of 3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide?
The InChIKey is FYPRKRYQMIJYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-2-9-21-15-8-3-11(10-14(15)17)16(20)19-13-6-4-12(18)5-7-13/h3-8,10H,2,9H2,1H3,(H,19,20).
What are the key properties of 3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide?
3-bromo-N-(4-fluorophenyl)-4-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 3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide is sourced from PubChem (CID 17342674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).