(2R)-2-benzyl-N-fluoro-3-hydroxypropanamide

C10H12FNO2 — CID 153438488

IUPAC(2R)-2-benzyl-N-fluoro-3-hydroxypropanamide
SMILESO=C(NF)[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C10H12FNO2/c11-12-10(14)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,14)/t9-/m1/s1
InChIKeyRITWWTFFXLGIFC-SECBINFHSA-N
MW197.21 g/mol
LogP0.84
Rot. Bonds4

About (2R)-2-benzyl-N-fluoro-3-hydroxypropanamide

(2R)-2-benzyl-N-fluoro-3-hydroxypropanamide (PubChem CID 153438488) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is (2R)-2-benzyl-N-fluoro-3-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-benzyl-N-fluoro-3-hydroxypropanamide
PubChem CID153438488
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name(2R)-2-benzyl-N-fluoro-3-hydroxypropanamide
SMILESO=C(NF)[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C10H12FNO2/c11-12-10(14)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,14)/t9-/m1/s1
InChIKeyRITWWTFFXLGIFC-SECBINFHSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;2-benzyl-3-hydroxypropanoic acid
CID 70116076
(2R)-2-benzyl-N-fluoro-5-tri(propan-2-yl)silylpent-4-ynamide
CID 153438478
(2S)-2-(hydroxymethyl)-4-phenylbutanoic acid
CID 124707867
3-benzylhexane-2,5-dione
CID 58379257
alumane;3-benzylpentan-2-one
CID 174773852
2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid
CID 54270409
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
2-benzyl-4-methylpentanoic acid
CID 15416243
N-(1,3-dihydroxypropan-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107031176
(2R)-2-benzyl-3-[(2R)-2-benzyl-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-oxopropyl]sulfinyl-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 70687323
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-N-fluoro-3-hydroxypropanamide?
The IUPAC name of (2R)-2-benzyl-N-fluoro-3-hydroxypropanamide (CID 153438488) is (2R)-2-benzyl-N-fluoro-3-hydroxypropanamide.
What is the SMILES notation for (2R)-2-benzyl-N-fluoro-3-hydroxypropanamide?
The canonical SMILES for (2R)-2-benzyl-N-fluoro-3-hydroxypropanamide is O=C(NF)[C@@H](CO)Cc1ccccc1.
What is the InChIKey of (2R)-2-benzyl-N-fluoro-3-hydroxypropanamide?
The InChIKey is RITWWTFFXLGIFC-SECBINFHSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-12-10(14)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,14)/t9-/m1/s1.
What are the key properties of (2R)-2-benzyl-N-fluoro-3-hydroxypropanamide?
(2R)-2-benzyl-N-fluoro-3-hydroxypropanamide has a molecular weight of 197.21 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-N-fluoro-3-hydroxypropanamide is sourced from PubChem (CID 153438488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).