(2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide

C11H13F2N3O2 — CID 119308430

IUPAC(2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NC(=O)[C@H](C)N
InChIInChI=1S/C11H13F2N3O2/c1-5(14)11(18)16-10-4-8(13)7(12)3-9(10)15-6(2)17/h3-5H,14H2,1-2H3,(H,15,17)(H,16,18)/t5-/m0/s1
InChIKeyALBFKEAMCSASFE-YFKPBYRVSA-N
MW257.24 g/mol
LogP1.21
Rot. Bonds3

About (2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide

(2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide (PubChem CID 119308430) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is (2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide.

Molecular Properties

Compound Name(2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide
PubChem CID119308430
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC Name(2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NC(=O)[C@H](C)N
InChIInChI=1S/C11H13F2N3O2/c1-5(14)11(18)16-10-4-8(13)7(12)3-9(10)15-6(2)17/h3-5H,14H2,1-2H3,(H,15,17)(H,16,18)/t5-/m0/s1
InChIKeyALBFKEAMCSASFE-YFKPBYRVSA-N
XLogP1.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
CID 62816267
(2S)-N-(2-acetamido-4-chlorophenyl)-2-aminopropanamide;hydrochloride
CID 119310318
(2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide
CID 107611709
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
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-[5-fluoro-2-(propan-2-ylamino)phenyl]propanamide;dihydrochloride
CID 119856686
(2S)-2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)propanamide
CID 119308643

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide?
The IUPAC name of (2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide (CID 119308430) is (2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide.
What is the SMILES notation for (2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide?
The canonical SMILES for (2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide is CC(=O)Nc1cc(F)c(F)cc1NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide?
The InChIKey is ALBFKEAMCSASFE-YFKPBYRVSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c1-5(14)11(18)16-10-4-8(13)7(12)3-9(10)15-6(2)17/h3-5H,14H2,1-2H3,(H,15,17)(H,16,18)/t5-/m0/s1.
What are the key properties of (2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide?
(2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide has a molecular weight of 257.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-acetamido-4,5-difluorophenyl)-2-aminopropanamide is sourced from PubChem (CID 119308430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).