2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide

C12H17FN2O2 — CID 54950525

IUPAC2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCC(O)c1ccccc1F
InChIInChI=1S/C12H17FN2O2/c1-8(12(17)14-2)15-7-11(16)9-5-3-4-6-10(9)13/h3-6,8,11,15-16H,7H2,1-2H3,(H,14,17)
InChIKeyXLJHKFFYAYBYCX-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.58
Rot. Bonds5

About 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide

2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide (PubChem CID 54950525) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide
PubChem CID54950525
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCC(O)c1ccccc1F
InChIInChI=1S/C12H17FN2O2/c1-8(12(17)14-2)15-7-11(16)9-5-3-4-6-10(9)13/h3-6,8,11,15-16H,7H2,1-2H3,(H,14,17)
InChIKeyXLJHKFFYAYBYCX-UHFFFAOYSA-N
XLogP0.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide
CID 54953469
4-[(3R)-3-[[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]butyl]-N-methylbenzamide
CID 57249014
(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide
CID 97181612
1-(2-fluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60744888
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-methylpropanamide
CID 61464613
2-(2,2-diphenylethylamino)-N-methylpropanamide
CID 103603774
2-[1-(2-fluorophenyl)ethylamino]-N-methylacetamide
CID 43214691
methyl 4-[(3R)-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]butyl]benzoate
CID 70590533
1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62810638
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905547
1-(2-chlorophenyl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanol
CID 81380433

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide (CID 54950525) is 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide is CNC(=O)C(C)NCC(O)c1ccccc1F.
What is the InChIKey of 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide?
The InChIKey is XLJHKFFYAYBYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(12(17)14-2)15-7-11(16)9-5-3-4-6-10(9)13/h3-6,8,11,15-16H,7H2,1-2H3,(H,14,17).
What are the key properties of 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide?
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide has a molecular weight of 240.28 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide is sourced from PubChem (CID 54950525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).