3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide

C16H15Br2NO2 — CID 46585346

IUPAC3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2cccc(Br)c2)cc1Br
InChIInChI=1S/C16H15Br2NO2/c1-10(11-4-3-5-13(17)8-11)19-16(20)12-6-7-15(21-2)14(18)9-12/h3-10H,1-2H3,(H,19,20)
InChIKeyPCQGALBCRDQBAO-UHFFFAOYSA-N
MW413.11 g/mol
LogP4.71
Rot. Bonds4

About 3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide

3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide (PubChem CID 46585346) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide
PubChem CID46585346
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2cccc(Br)c2)cc1Br
InChIInChI=1S/C16H15Br2NO2/c1-10(11-4-3-5-13(17)8-11)19-16(20)12-6-7-15(21-2)14(18)9-12/h3-10H,1-2H3,(H,19,20)
InChIKeyPCQGALBCRDQBAO-UHFFFAOYSA-N
XLogP4.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide 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-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide
CID 60661014
N-[1-(3-bromophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46599431
N-[(1S)-1-(3-bromophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 28557745
N-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557646
3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739360
4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide
CID 103830500
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 8962855
N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide
CID 43874000
N-[1-(3-bromophenyl)ethyl]-3-chloro-4,5-dimethoxybenzamide
CID 43059210
4-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbenzamide
CID 43699110
N-[1-(3-bromophenyl)ethyl]-3-iodobenzamide
CID 63531674
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide (CID 46585346) is 3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C)c2cccc(Br)c2)cc1Br.
What is the InChIKey of 3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide?
The InChIKey is PCQGALBCRDQBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-10(11-4-3-5-13(17)8-11)19-16(20)12-6-7-15(21-2)14(18)9-12/h3-10H,1-2H3,(H,19,20).
What are the key properties of 3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide?
3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide has a molecular weight of 413.11 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 46585346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).