(2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide

C11H13BrCl2N2O — CID 28993455

IUPAC(2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H13BrCl2N2O/c1-5(2)9(15)11(17)16-10-7(13)3-6(12)4-8(10)14/h3-5,9H,15H2,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyBSOBCPYAXHROGO-SECBINFHSA-N
MW340.05 g/mol
LogP3.68
Rot. Bonds3

About (2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide

(2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide (PubChem CID 28993455) has the molecular formula C11H13BrCl2N2O and a molecular weight of 340.05 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide
PubChem CID28993455
Molecular FormulaC11H13BrCl2N2O
Molecular Weight340.05 g/mol
Exact Mass337.96
IUPAC Name(2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H13BrCl2N2O/c1-5(2)9(15)11(17)16-10-7(13)3-6(12)4-8(10)14/h3-5,9H,15H2,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyBSOBCPYAXHROGO-SECBINFHSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.05
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide
CID 62671003
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide
CID 62474980
(2S)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967933
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967931
(2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide
CID 66254944
(2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide
CID 61173513
(2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide
CID 79011703
(2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide
CID 103479404
(2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide
CID 81271294
(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide
CID 79009037
2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide
CID 43714180

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide (CID 28993455) is (2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide is CC(C)[C@@H](N)C(=O)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of (2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide?
The InChIKey is BSOBCPYAXHROGO-SECBINFHSA-N. The full InChI is InChI=1S/C11H13BrCl2N2O/c1-5(2)9(15)11(17)16-10-7(13)3-6(12)4-8(10)14/h3-5,9H,15H2,1-2H3,(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide?
(2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide has a molecular weight of 340.05 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide is sourced from PubChem (CID 28993455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).