(2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide

C10H12BrFN2O — CID 103794714

IUPAC(2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C10H12BrFN2O/c1-2-8(13)10(15)14-9-5-6(12)3-4-7(9)11/h3-5,8H,2,13H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeySNTKZZFRNLQXEK-QMMMGPOBSA-N
MW275.12 g/mol
LogP2.26
Rot. Bonds3

About (2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide

(2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide (PubChem CID 103794714) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide
PubChem CID103794714
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name(2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C10H12BrFN2O/c1-2-8(13)10(15)14-9-5-6(12)3-4-7(9)11/h3-5,8H,2,13H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeySNTKZZFRNLQXEK-QMMMGPOBSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide
CID 107625667
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide
CID 103808541
(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide
CID 79025044
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437
2-(2-aminobutanoylamino)-4-fluorobenzoic acid
CID 61156854
2-amino-N-(4-fluoro-2-methylphenyl)butanamide
CID 43649448
(2S)-2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119856697
3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide
CID 107625700
2-amino-N-(2-bromophenyl)butanamide
CID 43649425
2-(aminomethyl)-N-(2-bromo-5-fluorophenyl)-4,4-dimethylpentanamide
CID 107625734
1-(2-bromo-5-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 75379402
2-amino-N-(5-bromo-2-fluorophenyl)butanamide
CID 43649633

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide (CID 103794714) is (2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide is CC[C@H](N)C(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of (2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide?
The InChIKey is SNTKZZFRNLQXEK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-2-8(13)10(15)14-9-5-6(12)3-4-7(9)11/h3-5,8H,2,13H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide?
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide has a molecular weight of 275.12 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide is sourced from PubChem (CID 103794714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).