2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide

C12H14Br2N2O2 — CID 146415746

IUPAC2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide
SMILESCN(C(=O)CBr)c1ccccc1N(C)C(=O)CBr
InChIInChI=1S/C12H14Br2N2O2/c1-15(11(17)7-13)9-5-3-4-6-10(9)16(2)12(18)8-14/h3-6H,7-8H2,1-2H3
InChIKeyPALBSZORTRSFRS-UHFFFAOYSA-N
MW378.06 g/mol
LogP2.40
Rot. Bonds4

About 2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide

2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide (PubChem CID 146415746) has the molecular formula C12H14Br2N2O2 and a molecular weight of 378.06 g/mol. Its IUPAC name is 2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide
PubChem CID146415746
Molecular FormulaC12H14Br2N2O2
Molecular Weight378.06 g/mol
Exact Mass375.94
IUPAC Name2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide
SMILESCN(C(=O)CBr)c1ccccc1N(C)C(=O)CBr
InChIInChI=1S/C12H14Br2N2O2/c1-15(11(17)7-13)9-5-3-4-6-10(9)16(2)12(18)8-14/h3-6H,7-8H2,1-2H3
InChIKeyPALBSZORTRSFRS-UHFFFAOYSA-N
XLogP2.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.06
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2,3-dimethylphenyl)-N-methylacetamide
CID 10682477
2-bromo-N-(4-bromophenyl)-N-methylacetamide
CID 174990155
2-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-N-methylacetamide
CID 12508715
2-(dimethylamino)-N-methyl-N-(2-methylphenyl)acetamide
CID 21343400
2-amino-N-methyl-N-(2-methylphenyl)acetamide
CID 28794373
N-(2-iodophenyl)-N-methylpropanamide
CID 15063897
N-(2-bromophenyl)-2-cyano-N-methylacetamide
CID 83548486
2-hydroxy-N-methyl-N-naphthalen-1-ylacetamide
CID 115139787
3-amino-N-methyl-N-(2-methylphenyl)propanamide
CID 28794972
3-amino-N-(2-bromophenyl)-N-methylbutanamide
CID 115154147
5-(2-bromo-N-methylanilino)-5-oxopentanoic acid
CID 115163855
N-(2-bromophenyl)-N-methyl-3-phenylpropanamide
CID 66744699

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide (CID 146415746) is 2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide is CN(C(=O)CBr)c1ccccc1N(C)C(=O)CBr.
What is the InChIKey of 2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide?
The InChIKey is PALBSZORTRSFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2O2/c1-15(11(17)7-13)9-5-3-4-6-10(9)16(2)12(18)8-14/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide?
2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide has a molecular weight of 378.06 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 146415746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).