N-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide

C11H12BrNO2 — CID 115175535

IUPACN-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide
SMILESCC(=O)C(=O)N(C)c1cc(Br)ccc1C
InChIInChI=1S/C11H12BrNO2/c1-7-4-5-9(12)6-10(7)13(3)11(15)8(2)14/h4-6H,1-3H3
InChIKeyLQBIWNZQENCMBR-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.31
Rot. Bonds2

About N-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide

N-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide (PubChem CID 115175535) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide
PubChem CID115175535
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC NameN-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide
SMILESCC(=O)C(=O)N(C)c1cc(Br)ccc1C
InChIInChI=1S/C11H12BrNO2/c1-7-4-5-9(12)6-10(7)13(3)11(15)8(2)14/h4-6H,1-3H3
InChIKeyLQBIWNZQENCMBR-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-methylphenyl)-1-methylurea
CID 115168285
1-(5-bromo-2-methylphenyl)-1,3-dimethylurea
CID 115169063
N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138927
N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide
CID 115173041
5-(5-bromo-N,2-dimethylanilino)-5-oxopentanoic acid
CID 115163850
N-(5-bromo-2-fluorophenyl)-N-methylacetamide
CID 115191064
N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 115160149
N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide
CID 115160585
2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid
CID 65306621
N-(5-bromo-2-methylphenyl)-N-methyl-2-morpholin-2-ylacetamide
CID 115178201
1-[(5-bromo-N,2-dimethylanilino)methyl]cyclobutane-1-carboxylic acid
CID 115246466
5-(5-bromo-N,2-dimethylanilino)-4-hydroxypentanoic acid
CID 115122644

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide (CID 115175535) is N-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide is CC(=O)C(=O)N(C)c1cc(Br)ccc1C.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide?
The InChIKey is LQBIWNZQENCMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-7-4-5-9(12)6-10(7)13(3)11(15)8(2)14/h4-6H,1-3H3.
What are the key properties of N-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide?
N-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide has a molecular weight of 270.13 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide is sourced from PubChem (CID 115175535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).