2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide

C16H14BrNO3 — CID 38113386

IUPAC2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide
SMILESNC(=O)Cc1ccc(OCC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H14BrNO3/c17-13-5-3-12(4-6-13)15(19)10-21-14-7-1-11(2-8-14)9-16(18)20/h1-8H,9-10H2,(H2,18,20)
InChIKeyPLEOFBBUTRFTFP-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.74
Rot. Bonds6

About 2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide

2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide (PubChem CID 38113386) has the molecular formula C16H14BrNO3 and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide
PubChem CID38113386
Molecular FormulaC16H14BrNO3
Molecular Weight348.20 g/mol
Exact Mass347.02
IUPAC Name2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide
SMILESNC(=O)Cc1ccc(OCC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H14BrNO3/c17-13-5-3-12(4-6-13)15(19)10-21-14-7-1-11(2-8-14)9-16(18)20/h1-8H,9-10H2,(H2,18,20)
InChIKeyPLEOFBBUTRFTFP-UHFFFAOYSA-N
XLogP2.74
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide 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-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone
CID 67899293
1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone
CID 107709231
1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone
CID 4309178
2-[4-(4-bromophenyl)phenoxy]acetamide
CID 7949184
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513
2-[4-(3-nitro-2-oxopropoxy)phenyl]acetamide
CID 20617578
1-[4-[2-(4-iodophenyl)-2-oxoethoxy]phenyl]propan-2-one
CID 115496045
2-(4-bromo-3-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 65201551
2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 83234474
2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone
CID 14256935
4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide
CID 7931631
[2-(4-bromophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 18276849

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of 2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide (CID 38113386) is 2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide is NC(=O)Cc1ccc(OCC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide?
The InChIKey is PLEOFBBUTRFTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3/c17-13-5-3-12(4-6-13)15(19)10-21-14-7-1-11(2-8-14)9-16(18)20/h1-8H,9-10H2,(H2,18,20).
What are the key properties of 2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide?
2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide has a molecular weight of 348.20 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 38113386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).