2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide

C12H16BrIN2O — CID 114259858

IUPAC2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cc(I)ccc1Br
InChIInChI=1S/C12H16BrIN2O/c1-3-6-12(2,15)11(17)16-10-7-8(14)4-5-9(10)13/h4-5,7H,3,6,15H2,1-2H3,(H,16,17)
InChIKeyVYGZDFBJGNTXKV-UHFFFAOYSA-N
MW411.08 g/mol
LogP3.51
Rot. Bonds4

About 2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide

2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide (PubChem CID 114259858) has the molecular formula C12H16BrIN2O and a molecular weight of 411.08 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide
PubChem CID114259858
Molecular FormulaC12H16BrIN2O
Molecular Weight411.08 g/mol
Exact Mass409.95
IUPAC Name2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cc(I)ccc1Br
InChIInChI=1S/C12H16BrIN2O/c1-3-6-12(2,15)11(17)16-10-7-8(14)4-5-9(10)13/h4-5,7H,3,6,15H2,1-2H3,(H,16,17)
InChIKeyVYGZDFBJGNTXKV-UHFFFAOYSA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.08
LogP ≤ 53.51
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-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide
CID 114257320
2-amino-N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82757643
2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 114259830
N-(2-bromo-5-iodophenyl)-2,2-difluoropropanamide
CID 130987362
2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide
CID 113445510
2-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylpentanamide
CID 102853754
2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide
CID 107611809
2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 60848199
2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide
CID 54928689
2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide
CID 79796935
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride
CID 119781400

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide (CID 114259858) is 2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1cc(I)ccc1Br.
What is the InChIKey of 2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide?
The InChIKey is VYGZDFBJGNTXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrIN2O/c1-3-6-12(2,15)11(17)16-10-7-8(14)4-5-9(10)13/h4-5,7H,3,6,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide?
2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide has a molecular weight of 411.08 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide is sourced from PubChem (CID 114259858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).