3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide

C16H16BrNO3 — CID 27173443

IUPAC3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccc(OCCNC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C16H16BrNO3/c1-20-14-5-7-15(8-6-14)21-10-9-18-16(19)12-3-2-4-13(17)11-12/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyRTFOFHNPLIMZBT-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.27
Rot. Bonds6

About 3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide

3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide (PubChem CID 27173443) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
PubChem CID27173443
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccc(OCCNC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C16H16BrNO3/c1-20-14-5-7-15(8-6-14)21-10-9-18-16(19)12-3-2-4-13(17)11-12/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyRTFOFHNPLIMZBT-UHFFFAOYSA-N
XLogP3.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-bromo-N-[2-(4-methoxyphenoxy)ethyl]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

3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100329
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099639
3-(4-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 3810296
3-bromo-N-[2-(3,4-difluorophenoxy)ethyl]benzamide
CID 113102457
3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide
CID 109051864
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
tert-butyl N-[3-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]carbamate
CID 8935828
3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide
CID 60515632
N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51232739
3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 24637931

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide (CID 27173443) is 3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide is COc1ccc(OCCNC(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
The InChIKey is RTFOFHNPLIMZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-20-14-5-7-15(8-6-14)21-10-9-18-16(19)12-3-2-4-13(17)11-12/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of 3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide?
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide has a molecular weight of 350.21 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide is sourced from PubChem (CID 27173443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).