N-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide

C16H14BrNO3 — CID 43413534

IUPACN-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)c1cccc(Br)c1
InChIInChI=1S/C16H14BrNO3/c1-11(19)18-14-7-2-3-8-16(14)21-10-15(20)12-5-4-6-13(17)9-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyXHQNRYCQJBWPFT-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.67
Rot. Bonds5

About N-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide

N-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide (PubChem CID 43413534) has the molecular formula C16H14BrNO3 and a molecular weight of 348.20 g/mol. Its IUPAC name is N-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide
PubChem CID43413534
Molecular FormulaC16H14BrNO3
Molecular Weight348.20 g/mol
Exact Mass347.02
IUPAC NameN-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)c1cccc(Br)c1
InChIInChI=1S/C16H14BrNO3/c1-11(19)18-14-7-2-3-8-16(14)21-10-15(20)12-5-4-6-13(17)9-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyXHQNRYCQJBWPFT-UHFFFAOYSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[2-(3-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

1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone
CID 60625595
N-[2-[2-(4-ethoxyphenyl)-2-oxoethoxy]phenyl]acetamide
CID 2443275
1-(3-bromophenyl)-2-(2-nitrophenoxy)ethanone
CID 7503868
3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 54790974
2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone
CID 55221609
3-bromo-N-(2-phenylmethoxyphenyl)benzamide
CID 54790844
2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone
CID 7809726
1-(3-bromophenyl)-2-[(2-chloro-3-pyridinyl)oxy]ethanone
CID 166021386
2-(2-acetamidophenoxy)-N-(3-methylphenyl)acetamide
CID 7867297
2-(2-acetamidophenoxy)-N,N-diethylacetamide
CID 7688277
dimethyl 5-[[2-(2-acetamidophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 7867251
N-[2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]acetamide
CID 48923418

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of N-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide (CID 43413534) is N-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OCC(=O)c1cccc(Br)c1.
What is the InChIKey of N-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide?
The InChIKey is XHQNRYCQJBWPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3/c1-11(19)18-14-7-2-3-8-16(14)21-10-15(20)12-5-4-6-13(17)9-12/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of N-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide?
N-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide has a molecular weight of 348.20 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 43413534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).