3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide

C12H17FN2O2 — CID 106170791

IUPAC3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide
SMILESCCC(NCC(O)C(N)=O)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-2-10(15-7-11(16)12(14)17)8-4-3-5-9(13)6-8/h3-6,10-11,15-16H,2,7H2,1H3,(H2,14,17)
InChIKeyLLZYUQNMXVEAPH-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.71
Rot. Bonds6

About 3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide

3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide (PubChem CID 106170791) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide
PubChem CID106170791
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide
SMILESCCC(NCC(O)C(N)=O)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-2-10(15-7-11(16)12(14)17)8-4-3-5-9(13)6-8/h3-6,10-11,15-16H,2,7H2,1H3,(H2,14,17)
InChIKeyLLZYUQNMXVEAPH-UHFFFAOYSA-N
XLogP0.71
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol
CID 114871634
2-(ethylamino)-2-(3-fluorophenyl)acetamide
CID 60786563
2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine
CID 114871074
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine
CID 114871834
N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871625
N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine
CID 103522681
2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide
CID 61023640
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide
CID 81365724
2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide
CID 114871265
3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine
CID 20642678
3-[1-(3-fluorophenyl)propylamino]pentan-1-ol
CID 114871859

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide (CID 106170791) is 3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide is CCC(NCC(O)C(N)=O)c1cccc(F)c1.
What is the InChIKey of 3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide?
The InChIKey is LLZYUQNMXVEAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-2-10(15-7-11(16)12(14)17)8-4-3-5-9(13)6-8/h3-6,10-11,15-16H,2,7H2,1H3,(H2,14,17).
What are the key properties of 3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide?
3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide has a molecular weight of 240.28 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106170791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).