2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide

C13H18BrNO — CID 80980455

IUPAC2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(Br)c(C(=O)N(C)CC(C)C)c1
InChIInChI=1S/C13H18BrNO/c1-9(2)8-15(4)13(16)11-7-10(3)5-6-12(11)14/h5-7,9H,8H2,1-4H3
InChIKeyVEYVMNYJSJPLPE-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.49
Rot. Bonds3

About 2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide

2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide (PubChem CID 80980455) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide
PubChem CID80980455
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(Br)c(C(=O)N(C)CC(C)C)c1
InChIInChI=1S/C13H18BrNO/c1-9(2)8-15(4)13(16)11-7-10(3)5-6-12(11)14/h5-7,9H,8H2,1-4H3
InChIKeyVEYVMNYJSJPLPE-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N,5-dimethylbenzamide
CID 81118021
2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47163482
2-bromo-N-(2-bromoethyl)-N,5-dimethylbenzamide
CID 81117833
N,5-dimethyl-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 62509503
N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide
CID 115317454
2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
CID 115968411
2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 80979920
2-[(2-bromo-5-methylbenzoyl)-methylamino]propanoic acid
CID 81110546
2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide
CID 114375651
2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide
CID 80979017
2-bromo-N-(2-cyanoethyl)-N,5-dimethylbenzamide
CID 80977004
2-bromo-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N,5-dimethylbenzamide
CID 100681249

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide (CID 80980455) is 2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide is Cc1ccc(Br)c(C(=O)N(C)CC(C)C)c1.
What is the InChIKey of 2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide?
The InChIKey is VEYVMNYJSJPLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9(2)8-15(4)13(16)11-7-10(3)5-6-12(11)14/h5-7,9H,8H2,1-4H3.
What are the key properties of 2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide?
2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide has a molecular weight of 284.20 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 80980455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).