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

C18H20BrNO2 — CID 113100328

IUPAC2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
SMILESCC(C)c1ccc(OCCNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C18H20BrNO2/c1-13(2)14-7-9-15(10-8-14)22-12-11-20-18(21)16-5-3-4-6-17(16)19/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyNNBLYUVCGUEPFD-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.38
Rot. Bonds6

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

2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide (PubChem CID 113100328) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
PubChem CID113100328
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
SMILESCC(C)c1ccc(OCCNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C18H20BrNO2/c1-13(2)14-7-9-15(10-8-14)22-12-11-20-18(21)16-5-3-4-6-17(16)19/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyNNBLYUVCGUEPFD-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'}

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Related Compounds

3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100329
2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide
CID 113099636
2-[2-[(2-bromobenzoyl)amino]ethoxy]propanoic acid
CID 110495130
2-bromo-N-[2-(3-ethoxyphenoxy)ethyl]benzamide
CID 113100580
2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide
CID 113100320
2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 94687173
2,5-dibromo-N-(2-phenoxyethyl)benzamide
CID 114372083
sodium 4-[2-[(4-propan-2-ylbenzoyl)amino]ethoxy]benzoate
CID 23698334
3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide
CID 60515632
2-ethylsulfanyl-N-(2-phenoxyethyl)benzamide
CID 32935041
N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide
CID 27861720
3,4,5-trimethoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100338

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide (CID 113100328) is 2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide is CC(C)c1ccc(OCCNC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide?
The InChIKey is NNBLYUVCGUEPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-13(2)14-7-9-15(10-8-14)22-12-11-20-18(21)16-5-3-4-6-17(16)19/h3-10,13H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide?
2-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 2-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide is sourced from PubChem (CID 113100328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).