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

C16H16BrNO3 — CID 614739

IUPAC4-bromo-N-[2-(2-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO3/c1-20-14-4-2-3-5-15(14)21-11-10-18-16(19)12-6-8-13(17)9-7-12/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyZTWDLKVBDPARED-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.27
Rot. Bonds6

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

4-bromo-N-[2-(2-methoxyphenoxy)ethyl]benzamide (PubChem CID 614739) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-methoxyphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-methoxyphenoxy)ethyl]benzamide
PubChem CID614739
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name4-bromo-N-[2-(2-methoxyphenoxy)ethyl]benzamide
SMILESCOc1ccccc1OCCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO3/c1-20-14-4-2-3-5-15(14)21-11-10-18-16(19)12-6-8-13(17)9-7-12/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyZTWDLKVBDPARED-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'}

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Related Compounds

4-tert-butyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 2222870
4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2222949
N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide
CID 2222974
2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2225978
N-(2-phenoxyethyl)benzamide
CID 1811246
2-Bromo-N-(2-(4-propylphenoxy)ethyl)benzamide
CID 2302649
3-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 1580663
4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 4788595
3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1142014
3-[(2-methoxyphenoxy)methyl]-N-propylbenzamide
CID 2165907
4-[(4-bromophenoxy)methyl]-N-(tetrahydro-2-furanylmethyl)benzamide
CID 3262709
4-[(2-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 3476681

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-methoxyphenoxy)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(2-methoxyphenoxy)ethyl]benzamide (CID 614739) is 4-bromo-N-[2-(2-methoxyphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(2-methoxyphenoxy)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(2-methoxyphenoxy)ethyl]benzamide is COc1ccccc1OCCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(2-methoxyphenoxy)ethyl]benzamide?
The InChIKey is ZTWDLKVBDPARED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-20-14-4-2-3-5-15(14)21-11-10-18-16(19)12-6-8-13(17)9-7-12/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 4-bromo-N-[2-(2-methoxyphenoxy)ethyl]benzamide?
4-bromo-N-[2-(2-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 4-bromo-N-[2-(2-methoxyphenoxy)ethyl]benzamide is sourced from PubChem (CID 614739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).