(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide

C13H18Br2N2O — CID 28991563

IUPAC(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide
SMILESCc1cc(Br)c(NC(=O)[C@H](N)CC(C)C)c(Br)c1
InChIInChI=1S/C13H18Br2N2O/c1-7(2)4-11(16)13(18)17-12-9(14)5-8(3)6-10(12)15/h5-7,11H,4,16H2,1-3H3,(H,17,18)/t11-/m1/s1
InChIKeyLZKIIFAGLVGWLE-LLVKDONJSA-N
MW378.11 g/mol
LogP3.83
Rot. Bonds4

About (2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide

(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide (PubChem CID 28991563) has the molecular formula C13H18Br2N2O and a molecular weight of 378.11 g/mol. Its IUPAC name is (2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide
PubChem CID28991563
Molecular FormulaC13H18Br2N2O
Molecular Weight378.11 g/mol
Exact Mass375.98
IUPAC Name(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide
SMILESCc1cc(Br)c(NC(=O)[C@H](N)CC(C)C)c(Br)c1
InChIInChI=1S/C13H18Br2N2O/c1-7(2)4-11(16)13(18)17-12-9(14)5-8(3)6-10(12)15/h5-7,11H,4,16H2,1-3H3,(H,17,18)/t11-/m1/s1
InChIKeyLZKIIFAGLVGWLE-LLVKDONJSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.11
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
CID 107611929
2-amino-N-(3,5-dibromo-4-hydroxyphenyl)-4-methylpentanamide
CID 13419970
2-amino-N-(2,6-dibromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 76892746
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
(2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide
CID 104903642
(2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide
CID 107641670
(2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide
CID 10704927
(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide
CID 104903984
(2S)-2-[(2,6-dibromo-4-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61183786
2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide
CID 43712543
(2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 115564487
2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 24690389

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide (CID 28991563) is (2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide is Cc1cc(Br)c(NC(=O)[C@H](N)CC(C)C)c(Br)c1.
What is the InChIKey of (2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide?
The InChIKey is LZKIIFAGLVGWLE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18Br2N2O/c1-7(2)4-11(16)13(18)17-12-9(14)5-8(3)6-10(12)15/h5-7,11H,4,16H2,1-3H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide?
(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide has a molecular weight of 378.11 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide is sourced from PubChem (CID 28991563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).