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

C18H20BrNO2 — CID 113100329

IUPAC3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
SMILESCC(C)c1ccc(OCCNC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C18H20BrNO2/c1-13(2)14-6-8-17(9-7-14)22-11-10-20-18(21)15-4-3-5-16(19)12-15/h3-9,12-13H,10-11H2,1-2H3,(H,20,21)
InChIKeyOOKBGSPZYIMZTG-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.38
Rot. Bonds6

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

3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide (PubChem CID 113100329) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
PubChem CID113100329
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
SMILESCC(C)c1ccc(OCCNC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C18H20BrNO2/c1-13(2)14-6-8-17(9-7-14)22-11-10-20-18(21)15-4-3-5-16(19)12-15/h3-9,12-13H,10-11H2,1-2H3,(H,20,21)
InChIKeyOOKBGSPZYIMZTG-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-N-[2-(4-propan-2-ylphenoxy)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-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide
CID 60515632
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 54790816
3-bromo-N-[2-(3,4-difluorophenoxy)ethyl]benzamide
CID 113102457
2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100328
3-bromo-N-[3-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16983393
3-bromo-N-[3-[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983366
3-chloro-N-[2-(3-propan-2-ylphenoxy)ethyl]benzamide
CID 113100237
3,4,5-trimethoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100338
3-bromo-N-[[1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008118
2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide
CID 113100320
sodium 4-[2-[(4-propan-2-ylbenzoyl)amino]ethoxy]benzoate
CID 23698334

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide (CID 113100329) is 3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide is CC(C)c1ccc(OCCNC(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide?
The InChIKey is OOKBGSPZYIMZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-13(2)14-6-8-17(9-7-14)22-11-10-20-18(21)15-4-3-5-16(19)12-15/h3-9,12-13H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide?
3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide has a molecular weight of 362.27 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide is sourced from PubChem (CID 113100329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).