2-(2-bromo-5-iodoanilino)-N-(2-methylbutan-2-yl)acetamide

C13H18BrIN2O — CID 113231069

IUPAC2-(2-bromo-5-iodoanilino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1cc(I)ccc1Br
InChIInChI=1S/C13H18BrIN2O/c1-4-13(2,3)17-12(18)8-16-11-7-9(15)5-6-10(11)14/h5-7,16H,4,8H2,1-3H3,(H,17,18)
InChIKeyLENKOUDAAUNJGJ-UHFFFAOYSA-N
MW425.11 g/mol
LogP3.77
Rot. Bonds5

About 2-(2-bromo-5-iodoanilino)-N-(2-methylbutan-2-yl)acetamide

2-(2-bromo-5-iodoanilino)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 113231069) has the molecular formula C13H18BrIN2O and a molecular weight of 425.11 g/mol. Its IUPAC name is 2-(2-bromo-5-iodoanilino)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-5-iodoanilino)-N-(2-methylbutan-2-yl)acetamide
PubChem CID113231069
Molecular FormulaC13H18BrIN2O
Molecular Weight425.11 g/mol
Exact Mass423.96
IUPAC Name2-(2-bromo-5-iodoanilino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1cc(I)ccc1Br
InChIInChI=1S/C13H18BrIN2O/c1-4-13(2,3)17-12(18)8-16-11-7-9(15)5-6-10(11)14/h5-7,16H,4,8H2,1-3H3,(H,17,18)
InChIKeyLENKOUDAAUNJGJ-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.11
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 51252444
2-bromo-N-ethyl-5-iodoaniline
CID 130498441
2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide
CID 81281028
2-(4-bromo-2-cyanoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 82708770
2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 61063414
2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 116784232
N-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide
CID 130987362
2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide
CID 114259858
2-(2-bromoanilino)-N-tert-butylacetamide
CID 28581046
2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 47475196
2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide
CID 60671142
N-(2-methylbutan-2-yl)-2-[(2-methyl-2-phenylpropyl)amino]acetamide
CID 60976584

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-iodoanilino)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-bromo-5-iodoanilino)-N-(2-methylbutan-2-yl)acetamide (CID 113231069) is 2-(2-bromo-5-iodoanilino)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-5-iodoanilino)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-bromo-5-iodoanilino)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CNc1cc(I)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-iodoanilino)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is LENKOUDAAUNJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrIN2O/c1-4-13(2,3)17-12(18)8-16-11-7-9(15)5-6-10(11)14/h5-7,16H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 2-(2-bromo-5-iodoanilino)-N-(2-methylbutan-2-yl)acetamide?
2-(2-bromo-5-iodoanilino)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 425.11 g/mol, XLogP of 3.77, 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-iodoanilino)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 113231069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).