(2R)-2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfanylbutanamide

C11H14BrFN2OS — CID 107599885

IUPAC(2R)-2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C11H14BrFN2OS/c1-17-6-5-9(14)11(16)15-10-7(12)3-2-4-8(10)13/h2-4,9H,5-6,14H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyFSJVAQREAVQOPF-SECBINFHSA-N
MW321.22 g/mol
LogP2.61
Rot. Bonds5

About (2R)-2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfanylbutanamide (PubChem CID 107599885) has the molecular formula C11H14BrFN2OS and a molecular weight of 321.22 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfanylbutanamide
PubChem CID107599885
Molecular FormulaC11H14BrFN2OS
Molecular Weight321.22 g/mol
Exact Mass320.00
IUPAC Name(2R)-2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C11H14BrFN2OS/c1-17-6-5-9(14)11(16)15-10-7(12)3-2-4-8(10)13/h2-4,9H,5-6,14H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyFSJVAQREAVQOPF-SECBINFHSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-bromo-6-fluorophenyl)butanamide
CID 107599827
(2S)-2-amino-N-(2-bromo-4,6-difluorophenyl)-4-methylsulfanylbutanamide
CID 61149337
2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfonylbutanamide
CID 107600024
(2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide
CID 104906820
2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-6-fluorobenzoic acid
CID 104907999
(2S)-2-amino-N-(2-cyano-3-fluorophenyl)-4-methylsulfanylbutanamide
CID 61154404
(2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide
CID 104893696
2-amino-N-(2,6-difluorophenyl)hexanamide
CID 54928730
(2S)-2-amino-N-(3,5-difluoro-4-iodophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119312520
N-(2-bromo-6-fluorophenyl)-2-carbamothioylpentanamide
CID 107600452
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)-4-methylsulfanylbutanamide
CID 55119461

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfanylbutanamide (CID 107599885) is (2R)-2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)Nc1c(F)cccc1Br.
What is the InChIKey of (2R)-2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfanylbutanamide?
The InChIKey is FSJVAQREAVQOPF-SECBINFHSA-N. The full InChI is InChI=1S/C11H14BrFN2OS/c1-17-6-5-9(14)11(16)15-10-7(12)3-2-4-8(10)13/h2-4,9H,5-6,14H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfanylbutanamide has a molecular weight of 321.22 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-bromo-6-fluorophenyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 107599885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).