4-amino-N-[(4-fluorophenyl)methyl]-2-hydroxybutanamide

C11H15FN2O2 — CID 82679395

IUPAC4-amino-N-[(4-fluorophenyl)methyl]-2-hydroxybutanamide
SMILESNCCC(O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O2/c12-9-3-1-8(2-4-9)7-14-11(16)10(15)5-6-13/h1-4,10,15H,5-7,13H2,(H,14,16)
InChIKeyLNYUDABHEVIIBJ-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.15
Rot. Bonds5

About 4-amino-N-[(4-fluorophenyl)methyl]-2-hydroxybutanamide

4-amino-N-[(4-fluorophenyl)methyl]-2-hydroxybutanamide (PubChem CID 82679395) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-amino-N-[(4-fluorophenyl)methyl]-2-hydroxybutanamide.

Molecular Properties

Compound Name4-amino-N-[(4-fluorophenyl)methyl]-2-hydroxybutanamide
PubChem CID82679395
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name4-amino-N-[(4-fluorophenyl)methyl]-2-hydroxybutanamide
SMILESNCCC(O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O2/c12-9-3-1-8(2-4-9)7-14-11(16)10(15)5-6-13/h1-4,10,15H,5-7,13H2,(H,14,16)
InChIKeyLNYUDABHEVIIBJ-UHFFFAOYSA-N
XLogP0.15
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)butanamide
CID 10571202
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
3-amino-2-hydroxy-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 115180561
2-bromo-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 24695966
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80587002
(2S)-4-[(4-fluorophenyl)methylcarbamoylamino]-2-hydroxybutanoic acid
CID 107838142
(2R)-2-amino-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 104904605
(2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide
CID 51946192
N,2-bis[(4-fluorophenyl)methyl]-N'-hydroxypropanediamide
CID 71457394
2-(carbamoylamino)-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 3934919
N-benzyl-2-hydroxypentanamide
CID 141058656
methyl 4-(4-fluorophenyl)-2-hydroxybutanoate
CID 67031210

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-fluorophenyl)methyl]-2-hydroxybutanamide?
The IUPAC name of 4-amino-N-[(4-fluorophenyl)methyl]-2-hydroxybutanamide (CID 82679395) is 4-amino-N-[(4-fluorophenyl)methyl]-2-hydroxybutanamide.
What is the SMILES notation for 4-amino-N-[(4-fluorophenyl)methyl]-2-hydroxybutanamide?
The canonical SMILES for 4-amino-N-[(4-fluorophenyl)methyl]-2-hydroxybutanamide is NCCC(O)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 4-amino-N-[(4-fluorophenyl)methyl]-2-hydroxybutanamide?
The InChIKey is LNYUDABHEVIIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c12-9-3-1-8(2-4-9)7-14-11(16)10(15)5-6-13/h1-4,10,15H,5-7,13H2,(H,14,16).
What are the key properties of 4-amino-N-[(4-fluorophenyl)methyl]-2-hydroxybutanamide?
4-amino-N-[(4-fluorophenyl)methyl]-2-hydroxybutanamide has a molecular weight of 226.25 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-fluorophenyl)methyl]-2-hydroxybutanamide is sourced from PubChem (CID 82679395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).