N-(2-amino-4-bromo-6-methylphenyl)-4-methylpentanamide

C13H19BrN2O — CID 43549958

IUPACN-(2-amino-4-bromo-6-methylphenyl)-4-methylpentanamide
SMILESCc1cc(Br)cc(N)c1NC(=O)CCC(C)C
InChIInChI=1S/C13H19BrN2O/c1-8(2)4-5-12(17)16-13-9(3)6-10(14)7-11(13)15/h6-8H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyCNFHTDVTZYHAHK-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.71
Rot. Bonds4

About N-(2-amino-4-bromo-6-methylphenyl)-4-methylpentanamide

N-(2-amino-4-bromo-6-methylphenyl)-4-methylpentanamide (PubChem CID 43549958) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(2-amino-4-bromo-6-methylphenyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(2-amino-4-bromo-6-methylphenyl)-4-methylpentanamide
PubChem CID43549958
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-(2-amino-4-bromo-6-methylphenyl)-4-methylpentanamide
SMILESCc1cc(Br)cc(N)c1NC(=O)CCC(C)C
InChIInChI=1S/C13H19BrN2O/c1-8(2)4-5-12(17)16-13-9(3)6-10(14)7-11(13)15/h6-8H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyCNFHTDVTZYHAHK-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-bromo-6-methylphenyl)-2-(4-bromophenyl)acetamide
CID 43550029
N-(2-amino-4-bromo-6-methylphenyl)-2-cycloheptylacetamide
CID 114457042
N-(2-amino-4-bromo-6-methylphenyl)-2-(4-chlorophenoxy)acetamide
CID 43550009
N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]-4-methylpentanamide
CID 86806993
N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905
N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976343
4-hydroxy-N-(2,4,6-tribromophenyl)pentanamide
CID 79201496
N-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide
CID 106752400
N-(2-amino-4-bromo-6-methylphenyl)-6-methylpyridine-2-carboxamide
CID 43550019
N-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide
CID 43550021
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-(2-amino-4-bromo-6-methylphenyl)-5-bromopyridine-2-carboxamide
CID 55152866

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-4-methylpentanamide?
The IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-4-methylpentanamide (CID 43549958) is N-(2-amino-4-bromo-6-methylphenyl)-4-methylpentanamide.
What is the SMILES notation for N-(2-amino-4-bromo-6-methylphenyl)-4-methylpentanamide?
The canonical SMILES for N-(2-amino-4-bromo-6-methylphenyl)-4-methylpentanamide is Cc1cc(Br)cc(N)c1NC(=O)CCC(C)C.
What is the InChIKey of N-(2-amino-4-bromo-6-methylphenyl)-4-methylpentanamide?
The InChIKey is CNFHTDVTZYHAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-8(2)4-5-12(17)16-13-9(3)6-10(14)7-11(13)15/h6-8H,4-5,15H2,1-3H3,(H,16,17).
What are the key properties of N-(2-amino-4-bromo-6-methylphenyl)-4-methylpentanamide?
N-(2-amino-4-bromo-6-methylphenyl)-4-methylpentanamide has a molecular weight of 299.21 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromo-6-methylphenyl)-4-methylpentanamide is sourced from PubChem (CID 43549958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).