(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide

C13H18BrClN2O — CID 104903984

IUPAC(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide
SMILESCc1cc(Br)c(NC(=O)[C@H](N)CC(C)C)cc1Cl
InChIInChI=1S/C13H18BrClN2O/c1-7(2)4-11(16)13(18)17-12-6-10(15)8(3)5-9(12)14/h5-7,11H,4,16H2,1-3H3,(H,17,18)/t11-/m1/s1
InChIKeyPBSKFTJWQQLGTO-LLVKDONJSA-N
MW333.66 g/mol
LogP3.72
Rot. Bonds4

About (2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide

(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide (PubChem CID 104903984) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide
PubChem CID104903984
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC Name(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide
SMILESCc1cc(Br)c(NC(=O)[C@H](N)CC(C)C)cc1Cl
InChIInChI=1S/C13H18BrClN2O/c1-7(2)4-11(16)13(18)17-12-6-10(15)8(3)5-9(12)14/h5-7,11H,4,16H2,1-3H3,(H,17,18)/t11-/m1/s1
InChIKeyPBSKFTJWQQLGTO-LLVKDONJSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide
CID 104723589
(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide
CID 104723691
(2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
CID 104903780
(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-3,3-dimethylbutanamide
CID 113445501
3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide
CID 104723649
(2R)-2-amino-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentanamide
CID 104902736
N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide
CID 113445559
2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide
CID 43712543
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide
CID 103808541
N-(2-bromo-5-chloro-4-methylphenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide
CID 104724960
(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide
CID 28991563
(2S)-2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]propanoic acid
CID 104724709

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide (CID 104903984) is (2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide is Cc1cc(Br)c(NC(=O)[C@H](N)CC(C)C)cc1Cl.
What is the InChIKey of (2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide?
The InChIKey is PBSKFTJWQQLGTO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18BrClN2O/c1-7(2)4-11(16)13(18)17-12-6-10(15)8(3)5-9(12)14/h5-7,11H,4,16H2,1-3H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide?
(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide has a molecular weight of 333.66 g/mol, XLogP of 3.72, 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-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide is sourced from PubChem (CID 104903984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).