2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide

C13H19BrN2O — CID 51252444

IUPAC2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-4-13(2,3)16-12(17)9-15-11-8-6-5-7-10(11)14/h5-8,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyOYCGWOBEUSCPKZ-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.17
Rot. Bonds5

About 2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide

2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 51252444) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide
PubChem CID51252444
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-4-13(2,3)16-12(17)9-15-11-8-6-5-7-10(11)14/h5-8,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyOYCGWOBEUSCPKZ-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromoanilino)-N-tert-butylacetamide
CID 28581046
2-(2-bromo-5-iodoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 113231069
2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide
CID 42069173
2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 116784232
2-bromo-N-(2-methylbutan-2-yl)benzamide
CID 24700588
2-(3-bromo-2-methylsulfonylanilino)-N-tert-butylacetamide
CID 22303972
2-(2-bromoanilino)-N-(cyclopropylcarbamoyl)acetamide
CID 42069187
N-(2-methylbutan-2-yl)-2-[(2-methyl-2-phenylpropyl)amino]acetamide
CID 60976584
2-(4-bromo-2-cyanoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 82708770
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide
CID 32901720
N-(2-methylbutan-2-yl)-3,3-diphenylpropanamide
CID 1292106
2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 61063414

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide (CID 51252444) is 2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CNc1ccccc1Br.
What is the InChIKey of 2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is OYCGWOBEUSCPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-4-13(2,3)16-12(17)9-15-11-8-6-5-7-10(11)14/h5-8,15H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide?
2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 299.21 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 51252444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).