N-[4-(2-bromoethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C14H20BrNO2 — CID 112604146

IUPACN-[4-(2-bromoethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1ccc(CCBr)cc1
InChIInChI=1S/C14H20BrNO2/c1-14(2,3)18-10-13(17)16-12-6-4-11(5-7-12)8-9-15/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKeyXNVBCLJEQRAAHU-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.38
Rot. Bonds5

About N-[4-(2-bromoethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[4-(2-bromoethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112604146) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-[4-(2-bromoethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[4-(2-bromoethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112604146
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-[4-(2-bromoethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)Nc1ccc(CCBr)cc1
InChIInChI=1S/C14H20BrNO2/c1-14(2,3)18-10-13(17)16-12-6-4-11(5-7-12)8-9-15/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKeyXNVBCLJEQRAAHU-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603178
N-[4-(2-bromoethyl)phenyl]-3,3-dimethylbutanamide
CID 114310364
methyl N-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]carbamate
CID 115949974
N-ethyl-2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]acetamide
CID 115950017
2-[(2-methylpropan-2-yl)oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 112604884
2-methyl-N-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]propanamide
CID 115950293
methyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate
CID 112603565
N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605077
2-[(2-methylpropan-2-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 112602943
2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid
CID 115949264
N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide
CID 114310172
N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604930

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromoethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[4-(2-bromoethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112604146) is N-[4-(2-bromoethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[4-(2-bromoethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[4-(2-bromoethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)Nc1ccc(CCBr)cc1.
What is the InChIKey of N-[4-(2-bromoethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is XNVBCLJEQRAAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-14(2,3)18-10-13(17)16-12-6-4-11(5-7-12)8-9-15/h4-7H,8-10H2,1-3H3,(H,16,17).
What are the key properties of N-[4-(2-bromoethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[4-(2-bromoethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 314.22 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromoethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112604146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).