N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide

C18H18BrNO3 — CID 17355171

IUPACN-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1
InChIInChI=1S/C18H18BrNO3/c1-11(2)23-17-9-6-14(10-16(17)19)18(22)20-15-7-4-13(5-8-15)12(3)21/h4-11H,1-3H3,(H,20,22)
InChIKeyRYVVOPAGFJBZIA-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.69
Rot. Bonds5

About N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide

N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide (PubChem CID 17355171) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide
PubChem CID17355171
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC NameN-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1
InChIInChI=1S/C18H18BrNO3/c1-11(2)23-17-9-6-14(10-16(17)19)18(22)20-15-7-4-13(5-8-15)12(3)21/h4-11H,1-3H3,(H,20,22)
InChIKeyRYVVOPAGFJBZIA-UHFFFAOYSA-N
XLogP4.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide 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

3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide
CID 17355174
N-[4-[[(3-bromo-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 17355526
N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
CID 17342671
3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992
3-bromo-N-[[4-(methylcarbamoyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 28642963
3-bromo-N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17235289
N-[4-[[(3-bromo-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 17355494
N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3-bromo-4-propan-2-yloxybenzamide
CID 17356122
3-bromo-N-(2,5-dimethylphenyl)-4-propan-2-yloxybenzamide
CID 17355192
3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide
CID 17355169
3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340213
N-[(4-acetylphenyl)carbamothioyl]-5-bromo-2-propan-2-yloxybenzamide
CID 17051911

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide?
The IUPAC name of N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide (CID 17355171) is N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide is CC(=O)c1ccc(NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide?
The InChIKey is RYVVOPAGFJBZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO3/c1-11(2)23-17-9-6-14(10-16(17)19)18(22)20-15-7-4-13(5-8-15)12(3)21/h4-11H,1-3H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide?
N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide has a molecular weight of 376.25 g/mol, XLogP of 4.69, 5 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-propan-2-yloxybenzamide is sourced from PubChem (CID 17355171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).