3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide

C20H23BrN2O3 — CID 60515632

IUPAC3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide
SMILESCC(C)c1ccc(OCCNC(=O)CNC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C20H23BrN2O3/c1-14(2)15-6-8-18(9-7-15)26-11-10-22-19(24)13-23-20(25)16-4-3-5-17(21)12-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZPWBPDKHGFLHAZ-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.50
Rot. Bonds8

About 3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide

3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide (PubChem CID 60515632) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide
PubChem CID60515632
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide
SMILESCC(C)c1ccc(OCCNC(=O)CNC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C20H23BrN2O3/c1-14(2)15-6-8-18(9-7-15)26-11-10-22-19(24)13-23-20(25)16-4-3-5-17(21)12-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZPWBPDKHGFLHAZ-UHFFFAOYSA-N
XLogP3.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100329
3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 54790816
3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 51162907
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 24637931
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 27916949
2-(2-methoxyethylamino)-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 119735524
3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24544523
3-bromo-N-[2-[1-(4-methoxyphenyl)propylamino]-2-oxoethyl]benzamide
CID 24547680
2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 94687173
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
CID 27861644
3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119505849

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide (CID 60515632) is 3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide is CC(C)c1ccc(OCCNC(=O)CNC(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide?
The InChIKey is ZPWBPDKHGFLHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-14(2)15-6-8-18(9-7-15)26-11-10-22-19(24)13-23-20(25)16-4-3-5-17(21)12-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide?
3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide has a molecular weight of 419.32 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide is sourced from PubChem (CID 60515632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).