2-[3-(4-bromophenyl)-2-oxopropoxy]-N-[3-(4-methylphenyl)-2-oxopropyl]benzamide

C26H24BrNO4 — CID 160876446

IUPAC2-[3-(4-bromophenyl)-2-oxopropoxy]-N-[3-(4-methylphenyl)-2-oxopropyl]benzamide
SMILESCc1ccc(CC(=O)CNC(=O)c2ccccc2OCC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C26H24BrNO4/c1-18-6-8-19(9-7-18)14-22(29)16-28-26(31)24-4-2-3-5-25(24)32-17-23(30)15-20-10-12-21(27)13-11-20/h2-13H,14-17H2,1H3,(H,28,31)
InChIKeySMLOTDZGFCSFQU-UHFFFAOYSA-N
MW494.39 g/mol
LogP4.49
Rot. Bonds10

About 2-[3-(4-bromophenyl)-2-oxopropoxy]-N-[3-(4-methylphenyl)-2-oxopropyl]benzamide

2-[3-(4-bromophenyl)-2-oxopropoxy]-N-[3-(4-methylphenyl)-2-oxopropyl]benzamide (PubChem CID 160876446) has the molecular formula C26H24BrNO4 and a molecular weight of 494.39 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-2-oxopropoxy]-N-[3-(4-methylphenyl)-2-oxopropyl]benzamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-2-oxopropoxy]-N-[3-(4-methylphenyl)-2-oxopropyl]benzamide
PubChem CID160876446
Molecular FormulaC26H24BrNO4
Molecular Weight494.39 g/mol
Exact Mass493.09
IUPAC Name2-[3-(4-bromophenyl)-2-oxopropoxy]-N-[3-(4-methylphenyl)-2-oxopropyl]benzamide
SMILESCc1ccc(CC(=O)CNC(=O)c2ccccc2OCC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C26H24BrNO4/c1-18-6-8-19(9-7-18)14-22(29)16-28-26(31)24-4-2-3-5-25(24)32-17-23(30)15-20-10-12-21(27)13-11-20/h2-13H,14-17H2,1H3,(H,28,31)
InChIKeySMLOTDZGFCSFQU-UHFFFAOYSA-N
XLogP4.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-bromophenyl)-2-oxopropoxy]-N-[3-(4-methylphenyl)-2-oxopropyl]benzamide 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

2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 46937197
N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26537380
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide
CID 112759231
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide
CID 46937202
2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone
CID 61056257
2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 112996188
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 24544481
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide
CID 51948773
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-4-methylphenoxy]acetic acid
CID 22093450
N-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 40791696
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 52897026

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-2-oxopropoxy]-N-[3-(4-methylphenyl)-2-oxopropyl]benzamide?
The IUPAC name of 2-[3-(4-bromophenyl)-2-oxopropoxy]-N-[3-(4-methylphenyl)-2-oxopropyl]benzamide (CID 160876446) is 2-[3-(4-bromophenyl)-2-oxopropoxy]-N-[3-(4-methylphenyl)-2-oxopropyl]benzamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)-2-oxopropoxy]-N-[3-(4-methylphenyl)-2-oxopropyl]benzamide?
The canonical SMILES for 2-[3-(4-bromophenyl)-2-oxopropoxy]-N-[3-(4-methylphenyl)-2-oxopropyl]benzamide is Cc1ccc(CC(=O)CNC(=O)c2ccccc2OCC(=O)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)-2-oxopropoxy]-N-[3-(4-methylphenyl)-2-oxopropyl]benzamide?
The InChIKey is SMLOTDZGFCSFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrNO4/c1-18-6-8-19(9-7-18)14-22(29)16-28-26(31)24-4-2-3-5-25(24)32-17-23(30)15-20-10-12-21(27)13-11-20/h2-13H,14-17H2,1H3,(H,28,31).
What are the key properties of 2-[3-(4-bromophenyl)-2-oxopropoxy]-N-[3-(4-methylphenyl)-2-oxopropyl]benzamide?
2-[3-(4-bromophenyl)-2-oxopropoxy]-N-[3-(4-methylphenyl)-2-oxopropyl]benzamide has a molecular weight of 494.39 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-2-oxopropoxy]-N-[3-(4-methylphenyl)-2-oxopropyl]benzamide is sourced from PubChem (CID 160876446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).