N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide

C24H23BrN2O3 — CID 28639983

IUPACN-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1Br
InChIInChI=1S/C24H23BrN2O3/c1-2-14-30-22-13-10-19(15-21(22)25)24(29)27-20-11-8-18(9-12-20)23(28)26-16-17-6-4-3-5-7-17/h3-13,15H,2,14,16H2,1H3,(H,26,28)(H,27,29)
InChIKeyUIXUDWUBOQLTFT-UHFFFAOYSA-N
MW467.36 g/mol
LogP5.42
Rot. Bonds8

About N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide

N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide (PubChem CID 28639983) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide.

Molecular Properties

Compound NameN-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide
PubChem CID28639983
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC NameN-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1Br
InChIInChI=1S/C24H23BrN2O3/c1-2-14-30-22-13-10-19(15-21(22)25)24(29)27-20-11-8-18(9-12-20)23(28)26-16-17-6-4-3-5-7-17/h3-13,15H,2,14,16H2,1H3,(H,26,28)(H,27,29)
InChIKeyUIXUDWUBOQLTFT-UHFFFAOYSA-N
XLogP5.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide
CID 17067040
N-benzyl-4-[(4-propoxybenzoyl)amino]benzamide
CID 28639944
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
CID 17342671
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
N-(4-anilinophenyl)-3-bromo-4-butoxybenzamide
CID 4955723
3-bromo-4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17067024
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17072648
3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17342662
N-[[2-(benzylcarbamoyl)phenyl]carbamothioyl]-3-bromo-4-propoxybenzamide
CID 17343077

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide?
The IUPAC name of N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide (CID 28639983) is N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide.
What is the SMILES notation for N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide?
The canonical SMILES for N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1Br.
What is the InChIKey of N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide?
The InChIKey is UIXUDWUBOQLTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-2-14-30-22-13-10-19(15-21(22)25)24(29)27-20-11-8-18(9-12-20)23(28)26-16-17-6-4-3-5-7-17/h3-13,15H,2,14,16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide?
N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide has a molecular weight of 467.36 g/mol, XLogP of 5.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide is sourced from PubChem (CID 28639983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).