2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide

C12H15Br3N2O — CID 54928689

IUPAC2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide
SMILESCCCC(C)(N)C(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C12H15Br3N2O/c1-3-4-12(2,16)11(18)17-10-8(14)5-7(13)6-9(10)15/h5-6H,3-4,16H2,1-2H3,(H,17,18)
InChIKeyFLMKHTQWGNEBSN-UHFFFAOYSA-N
MW442.98 g/mol
LogP4.43
Rot. Bonds4

About 2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide

2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide (PubChem CID 54928689) has the molecular formula C12H15Br3N2O and a molecular weight of 442.98 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide
PubChem CID54928689
Molecular FormulaC12H15Br3N2O
Molecular Weight442.98 g/mol
Exact Mass439.87
IUPAC Name2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide
SMILESCCCC(C)(N)C(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C12H15Br3N2O/c1-3-4-12(2,16)11(18)17-10-8(14)5-7(13)6-9(10)15/h5-6H,3-4,16H2,1-2H3,(H,17,18)
InChIKeyFLMKHTQWGNEBSN-UHFFFAOYSA-N
XLogP4.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.98
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide?
The IUPAC name of 2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide (CID 54928689) is 2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide is CCCC(C)(N)C(=O)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide?
The InChIKey is FLMKHTQWGNEBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br3N2O/c1-3-4-12(2,16)11(18)17-10-8(14)5-7(13)6-9(10)15/h5-6H,3-4,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide?
2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide has a molecular weight of 442.98 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide is sourced from PubChem (CID 54928689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).