(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide

C9H9F3N2O — CID 62816267

IUPAC(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C9H9F3N2O/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
InChIKeyZIUJJKMDJLDKAS-BYPYZUCNSA-N
MW218.18 g/mol
LogP1.39
Rot. Bonds2

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

(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide (PubChem CID 62816267) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
PubChem CID62816267
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C9H9F3N2O/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
InChIKeyZIUJJKMDJLDKAS-BYPYZUCNSA-N
XLogP1.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.39
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)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide
CID 119308430
(2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide
CID 107611709
3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide
CID 62815213
3-amino-2-methyl-3-sulfanylidene-N-(2,4,5-trifluorophenyl)propanamide
CID 62815576
2-(aminomethyl)-3-methyl-N-(2,4,5-trifluorophenyl)butanamide
CID 62814873
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide
CID 104685005
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
(2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide
CID 119308643
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119279745

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide (CID 62816267) is (2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide is C[C@H](N)C(=O)Nc1cc(F)c(F)cc1F.
What is the InChIKey of (2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide?
The InChIKey is ZIUJJKMDJLDKAS-BYPYZUCNSA-N. The full InChI is InChI=1S/C9H9F3N2O/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-(2,4,5-trifluorophenyl)propanamide?
(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide has a molecular weight of 218.18 g/mol, XLogP of 1.39, 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-(2,4,5-trifluorophenyl)propanamide is sourced from PubChem (CID 62816267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).