(2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide

C9H9BrF2N2O — CID 107611709

IUPAC(2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C9H9BrF2N2O/c1-4(13)9(15)14-8-3-6(11)5(10)2-7(8)12/h2-4H,13H2,1H3,(H,14,15)/t4-/m0/s1
InChIKeyBKZKAGSFCHIFRH-BYPYZUCNSA-N
MW279.08 g/mol
LogP2.01
Rot. Bonds2

About (2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide

(2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide (PubChem CID 107611709) has the molecular formula C9H9BrF2N2O and a molecular weight of 279.08 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide
PubChem CID107611709
Molecular FormulaC9H9BrF2N2O
Molecular Weight279.08 g/mol
Exact Mass277.99
IUPAC Name(2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C9H9BrF2N2O/c1-4(13)9(15)14-8-3-6(11)5(10)2-7(8)12/h2-4H,13H2,1H3,(H,14,15)/t4-/m0/s1
InChIKeyBKZKAGSFCHIFRH-BYPYZUCNSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
CID 62816267
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592265
(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592355
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
(2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide
CID 119308430
3-amino-N-(4-bromo-2,5-difluorophenyl)-2-methoxypropanamide
CID 106114183
2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide
CID 107611587
(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide
CID 79009037
2-amino-N-(2-bromo-5-chlorophenyl)propanamide
CID 81270376
2-amino-N-(4-bromo-2,5-difluorophenyl)-2-ethylbutanamide
CID 107611725
N-(5-bromo-2,4-difluorophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide
CID 102854625
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide (CID 107611709) is (2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide is C[C@H](N)C(=O)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of (2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide?
The InChIKey is BKZKAGSFCHIFRH-BYPYZUCNSA-N. The full InChI is InChI=1S/C9H9BrF2N2O/c1-4(13)9(15)14-8-3-6(11)5(10)2-7(8)12/h2-4H,13H2,1H3,(H,14,15)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide?
(2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide has a molecular weight of 279.08 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide is sourced from PubChem (CID 107611709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).