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

C18H18BrNO3 — CID 17342671

IUPACN-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1Br
InChIInChI=1S/C18H18BrNO3/c1-3-10-23-17-9-6-14(11-16(17)19)18(22)20-15-7-4-13(5-8-15)12(2)21/h4-9,11H,3,10H2,1-2H3,(H,20,22)
InChIKeyDREMZGOHCMPMGP-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.69
Rot. Bonds6

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

N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide (PubChem CID 17342671) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
PubChem CID17342671
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC NameN-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1Br
InChIInChI=1S/C18H18BrNO3/c1-3-10-23-17-9-6-14(11-16(17)19)18(22)20-15-7-4-13(5-8-15)12(2)21/h4-9,11H,3,10H2,1-2H3,(H,20,22)
InChIKeyDREMZGOHCMPMGP-UHFFFAOYSA-N
XLogP4.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674
3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
CID 17073835
3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 17342688
N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide
CID 28639983
3-bromo-N-(4-heptoxyphenyl)-4-hexoxybenzamide
CID 4959571
3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide
CID 17096782
3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide
CID 17067040
N-(4-anilinophenyl)-3-bromo-4-butoxybenzamide
CID 4955723
methyl 4-[(3-bromo-4-hexoxybenzoyl)amino]benzoate
CID 4959481
3-bromo-4-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642675
N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 141154638

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide?
The IUPAC name of N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide (CID 17342671) is N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide?
The canonical SMILES for N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1Br.
What is the InChIKey of N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide?
The InChIKey is DREMZGOHCMPMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO3/c1-3-10-23-17-9-6-14(11-16(17)19)18(22)20-15-7-4-13(5-8-15)12(2)21/h4-9,11H,3,10H2,1-2H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide?
N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide has a molecular weight of 376.25 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide is sourced from PubChem (CID 17342671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).