(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide

C9H9BrF2N2O — CID 79009037

IUPAC(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C9H9BrF2N2O/c1-4(13)9(15)14-8-6(11)2-5(10)3-7(8)12/h2-4H,13H2,1H3,(H,14,15)/t4-/m0/s1
InChIKeySXFGBVWKKOWPOR-BYPYZUCNSA-N
MW279.08 g/mol
LogP2.01
Rot. Bonds2

About (2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide

(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide (PubChem CID 79009037) has the molecular formula C9H9BrF2N2O and a molecular weight of 279.08 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide
PubChem CID79009037
Molecular FormulaC9H9BrF2N2O
Molecular Weight279.08 g/mol
Exact Mass277.99
IUPAC Name(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C9H9BrF2N2O/c1-4(13)9(15)14-8-6(11)2-5(10)3-7(8)12/h2-4H,13H2,1H3,(H,14,15)/t4-/m0/s1
InChIKeySXFGBVWKKOWPOR-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

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Related Compounds

2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
2-amino-N-(2,6-difluorophenyl)propanamide
CID 43087644
2-amino-N-(4-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)acetamide
CID 106312451
2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 81101709
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methoxypropanamide
CID 114145118
2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide
CID 65469928
5-amino-N-(4-bromo-2,6-difluorophenyl)hexanamide
CID 82852538
(2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide
CID 107611709
(2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide
CID 61147133
(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
CID 62816267
2-amino-N-(2,6-dibromophenyl)propanamide
CID 12546848
methyl 2-(4-bromo-2,6-difluoroanilino)propanoate
CID 65469192

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide (CID 79009037) is (2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide is C[C@H](N)C(=O)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of (2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide?
The InChIKey is SXFGBVWKKOWPOR-BYPYZUCNSA-N. The full InChI is InChI=1S/C9H9BrF2N2O/c1-4(13)9(15)14-8-6(11)2-5(10)3-7(8)12/h2-4H,13H2,1H3,(H,14,15)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide?
(2S)-2-amino-N-(4-bromo-2,6-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-2,6-difluorophenyl)propanamide is sourced from PubChem (CID 79009037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).