2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide

C13H19BrN2O — CID 60848199

IUPAC2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C13H19BrN2O/c1-4-7-13(3,15)12(17)16-11-6-5-10(14)8-9(11)2/h5-6,8H,4,7,15H2,1-3H3,(H,16,17)
InChIKeyRSEPFJULCMREJB-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.21
Rot. Bonds4

About 2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide

2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide (PubChem CID 60848199) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
PubChem CID60848199
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C13H19BrN2O/c1-4-7-13(3,15)12(17)16-11-6-5-10(14)8-9(11)2/h5-6,8H,4,7,15H2,1-3H3,(H,16,17)
InChIKeyRSEPFJULCMREJB-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-bromo-2-methylphenyl)-2-methylbutanamide
CID 79791633
2-amino-N-(4-methoxy-2-methylphenyl)-2-methylpentanamide;hydrochloride
CID 119709502
N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide
CID 4634905
2-amino-N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82757643
2-amino-N-[(4-bromo-2-methylphenyl)methyl]-2-methylpentanamide;hydrochloride
CID 119781003
2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide
CID 113445510
2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide
CID 114257320
2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide
CID 60866775
2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide
CID 114259858
2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide
CID 54928689
3-[(2-amino-2-methylpentanoyl)amino]-4-methylbenzamide;hydrochloride
CID 119711744
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide
CID 119739311

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide (CID 60848199) is 2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of 2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide?
The InChIKey is RSEPFJULCMREJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-4-7-13(3,15)12(17)16-11-6-5-10(14)8-9(11)2/h5-6,8H,4,7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide?
2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide has a molecular weight of 299.21 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide is sourced from PubChem (CID 60848199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).