(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide

C11H14BrFN2O — CID 104778265

IUPAC(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C11H14BrFN2O/c1-6(2)10(14)11(16)15-7-3-4-9(13)8(12)5-7/h3-6,10H,14H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyFENOUJMMPUQOBG-SNVBAGLBSA-N
MW289.15 g/mol
LogP2.51
Rot. Bonds3

About (2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide

(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide (PubChem CID 104778265) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide
PubChem CID104778265
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C11H14BrFN2O/c1-6(2)10(14)11(16)15-7-3-4-9(13)8(12)5-7/h3-6,10H,14H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyFENOUJMMPUQOBG-SNVBAGLBSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-bromo-3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119280061
5-[(2-amino-3-methylbutanoyl)amino]-2-fluorobenzamide
CID 43706561
5-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-fluorobenzamide
CID 61180405
2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 43712924
2-amino-N-(4-chloro-3-fluorophenyl)-3-methylbutanamide
CID 43708823
3-amino-N-(3-bromo-4-fluorophenyl)butanamide
CID 115738294
N-(3-bromo-4-fluorophenyl)-2-cyanopropanamide
CID 115664983
(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-2-phenylacetamide
CID 103794894
N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide
CID 115738288
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
2-amino-N-(3-bromo-4-fluorophenyl)pent-4-enamide
CID 104778206
(2S)-2-amino-N-(4-bromo-3-fluorophenyl)-3-methylpentanamide
CID 65437911

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide (CID 104778265) is (2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide is CC(C)[C@@H](N)C(=O)Nc1ccc(F)c(Br)c1.
What is the InChIKey of (2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide?
The InChIKey is FENOUJMMPUQOBG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-6(2)10(14)11(16)15-7-3-4-9(13)8(12)5-7/h3-6,10H,14H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide?
(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-3-methylbutanamide has a molecular weight of 289.15 g/mol, XLogP of 2.51, 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-(3-bromo-4-fluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 104778265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).