2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide

C13H19BrN2O — CID 82713327

IUPAC2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CNc1cc(C)ccc1Br
InChIInChI=1S/C13H19BrN2O/c1-4-10(3)16-13(17)8-15-12-7-9(2)5-6-11(12)14/h5-7,10,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyDTBSLZJTFOLQRF-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.08
Rot. Bonds5

About 2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide

2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide (PubChem CID 82713327) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide
PubChem CID82713327
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CNc1cc(C)ccc1Br
InChIInChI=1S/C13H19BrN2O/c1-4-10(3)16-13(17)8-15-12-7-9(2)5-6-11(12)14/h5-7,10,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyDTBSLZJTFOLQRF-UHFFFAOYSA-N
XLogP3.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide
CID 43089124
2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide
CID 82757462
2-(2-bromo-5-methylanilino)-N-propylacetamide
CID 82714044
2-(5-bromo-2,4-difluoroanilino)-N-butan-2-ylacetamide
CID 102847112
2-(2-bromo-5-methylanilino)-N-(cyanomethyl)acetamide
CID 82713144
2-(2-bromo-5-methylanilino)-1-pyrrolidin-1-ylethanone
CID 82713605
2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide
CID 82757718
N-butan-2-yl-2-(2,3-dimethylanilino)acetamide
CID 43180171
2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide
CID 60688483
2-(3-bromo-4-iodoanilino)-N-butan-2-ylacetamide
CID 113230608
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
(2S)-2-[(2-bromo-5-methylphenyl)carbamoylamino]butanoic acid
CID 82766171

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide?
The IUPAC name of 2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide (CID 82713327) is 2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide is CCC(C)NC(=O)CNc1cc(C)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide?
The InChIKey is DTBSLZJTFOLQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-4-10(3)16-13(17)8-15-12-7-9(2)5-6-11(12)14/h5-7,10,15H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide?
2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide has a molecular weight of 299.21 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide is sourced from PubChem (CID 82713327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).