N-benzyl-2-(4-bromophenyl)-2-methylpropanamide

C17H18BrNO — CID 134025593

IUPACN-benzyl-2-(4-bromophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO/c1-17(2,14-8-10-15(18)11-9-14)16(20)19-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyNUPZQBCHBKCDDC-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.04
Rot. Bonds4

About N-benzyl-2-(4-bromophenyl)-2-methylpropanamide

N-benzyl-2-(4-bromophenyl)-2-methylpropanamide (PubChem CID 134025593) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-benzyl-2-(4-bromophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-(4-bromophenyl)-2-methylpropanamide
PubChem CID134025593
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-benzyl-2-(4-bromophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO/c1-17(2,14-8-10-15(18)11-9-14)16(20)19-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyNUPZQBCHBKCDDC-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide
CID 116816881
N-[(3-hydroxyphenyl)methyl]-2-methyl-2-phenylpropanamide
CID 61018708
N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide
CID 104936890
4-[[[2-methyl-2-(4-methylphenyl)propanoyl]amino]methyl]benzoic acid
CID 119165621
2-(1,3-benzodioxol-5-yl)-N-benzyl-2-methylpropanamide
CID 113197703
2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119509414
(2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid
CID 11727351
2-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylpropanamide
CID 86950563
N-benzyl-2-methyl-2-(methylamino)propanamide
CID 62834477
N-benzyl-2-bromo-2,2-difluoroacetamide
CID 86212006
2-(4-fluorophenyl)-2-methyl-N-(2-phenylethyl)propanamide
CID 113197365
N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride
CID 119549666

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-bromophenyl)-2-methylpropanamide?
The IUPAC name of N-benzyl-2-(4-bromophenyl)-2-methylpropanamide (CID 134025593) is N-benzyl-2-(4-bromophenyl)-2-methylpropanamide.
What is the SMILES notation for N-benzyl-2-(4-bromophenyl)-2-methylpropanamide?
The canonical SMILES for N-benzyl-2-(4-bromophenyl)-2-methylpropanamide is CC(C)(C(=O)NCc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-benzyl-2-(4-bromophenyl)-2-methylpropanamide?
The InChIKey is NUPZQBCHBKCDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-17(2,14-8-10-15(18)11-9-14)16(20)19-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,19,20).
What are the key properties of N-benzyl-2-(4-bromophenyl)-2-methylpropanamide?
N-benzyl-2-(4-bromophenyl)-2-methylpropanamide has a molecular weight of 332.24 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-bromophenyl)-2-methylpropanamide is sourced from PubChem (CID 134025593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).