N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromo-2-methylpropanamide

C12H15BrN2O2 — CID 114327737

IUPACN-[2-(2-amino-2-oxoethyl)phenyl]-2-bromo-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1ccccc1CC(N)=O
InChIInChI=1S/C12H15BrN2O2/c1-12(2,13)11(17)15-9-6-4-3-5-8(9)7-10(14)16/h3-6H,7H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyVVCSEUDARTWWCW-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.83
Rot. Bonds4

About N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromo-2-methylpropanamide

N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromo-2-methylpropanamide (PubChem CID 114327737) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromo-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)phenyl]-2-bromo-2-methylpropanamide
PubChem CID114327737
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-[2-(2-amino-2-oxoethyl)phenyl]-2-bromo-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1ccccc1CC(N)=O
InChIInChI=1S/C12H15BrN2O2/c1-12(2,13)11(17)15-9-6-4-3-5-8(9)7-10(14)16/h3-6H,7H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyVVCSEUDARTWWCW-UHFFFAOYSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethylbutanamide
CID 115431675
N-[2-(2-amino-2-oxoethyl)phenyl]-2,2,3,3-tetrafluoropropanamide
CID 103732853
N-[2-(2-amino-2-oxoethyl)phenyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 86929205
N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromobutanamide
CID 62856321
2-[2-(propylamino)phenyl]acetamide
CID 43738591
N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968190
N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 51080425
N-[2-(aminomethyl)phenyl]-2,2-dimethylbutanamide
CID 63756106
4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide
CID 43697115
2-[2-(benzylcarbamoylamino)phenyl]acetamide
CID 51080430
(3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide
CID 51942532
2-[2-[(4-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 90271537

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromo-2-methylpropanamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromo-2-methylpropanamide (CID 114327737) is N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromo-2-methylpropanamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromo-2-methylpropanamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromo-2-methylpropanamide is CC(C)(Br)C(=O)Nc1ccccc1CC(N)=O.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromo-2-methylpropanamide?
The InChIKey is VVCSEUDARTWWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-12(2,13)11(17)15-9-6-4-3-5-8(9)7-10(14)16/h3-6H,7H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromo-2-methylpropanamide?
N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromo-2-methylpropanamide has a molecular weight of 299.17 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromo-2-methylpropanamide is sourced from PubChem (CID 114327737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).