N-[3-(4-bromophenyl)-1-(4-methylphenyl)-3-oxopropyl]acetamide

C18H18BrNO2 — CID 24894098

IUPACN-[3-(4-bromophenyl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)c1ccc(Br)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H18BrNO2/c1-12-3-5-14(6-4-12)17(20-13(2)21)11-18(22)15-7-9-16(19)10-8-15/h3-10,17H,11H2,1-2H3,(H,20,21)
InChIKeyHCWIYZROISICBW-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.21
Rot. Bonds5

About N-[3-(4-bromophenyl)-1-(4-methylphenyl)-3-oxopropyl]acetamide

N-[3-(4-bromophenyl)-1-(4-methylphenyl)-3-oxopropyl]acetamide (PubChem CID 24894098) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)-1-(4-methylphenyl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
PubChem CID24894098
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC NameN-[3-(4-bromophenyl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)c1ccc(Br)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H18BrNO2/c1-12-3-5-14(6-4-12)17(20-13(2)21)11-18(22)15-7-9-16(19)10-8-15/h3-10,17H,11H2,1-2H3,(H,20,21)
InChIKeyHCWIYZROISICBW-UHFFFAOYSA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The IUPAC name of N-[3-(4-bromophenyl)-1-(4-methylphenyl)-3-oxopropyl]acetamide (CID 24894098) is N-[3-(4-bromophenyl)-1-(4-methylphenyl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-(4-bromophenyl)-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-(4-bromophenyl)-1-(4-methylphenyl)-3-oxopropyl]acetamide is CC(=O)NC(CC(=O)c1ccc(Br)cc1)c1ccc(C)cc1.
What is the InChIKey of N-[3-(4-bromophenyl)-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The InChIKey is HCWIYZROISICBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-12-3-5-14(6-4-12)17(20-13(2)21)11-18(22)15-7-9-16(19)10-8-15/h3-10,17H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(4-bromophenyl)-1-(4-methylphenyl)-3-oxopropyl]acetamide?
N-[3-(4-bromophenyl)-1-(4-methylphenyl)-3-oxopropyl]acetamide has a molecular weight of 360.25 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)-1-(4-methylphenyl)-3-oxopropyl]acetamide is sourced from PubChem (CID 24894098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).