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

C13H19FN2O2 — CID 54938683

IUPAC2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNCC(O)c1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-2-7-16-13(18)9-15-8-12(17)10-5-3-4-6-11(10)14/h3-6,12,15,17H,2,7-9H2,1H3,(H,16,18)
InChIKeyPIBPVMDYJRCNEC-UHFFFAOYSA-N
MW254.30 g/mol
LogP0.97
Rot. Bonds7

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

2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide (PubChem CID 54938683) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide
PubChem CID54938683
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNCC(O)c1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-2-7-16-13(18)9-15-8-12(17)10-5-3-4-6-11(10)14/h3-6,12,15,17H,2,7-9H2,1H3,(H,16,18)
InChIKeyPIBPVMDYJRCNEC-UHFFFAOYSA-N
XLogP0.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide
CID 43400999
ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate
CID 54937977
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-propylacetamide
CID 60541269
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 81380842
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide
CID 54938970
N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide
CID 61022469
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide
CID 112631456
3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106285676
2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol
CID 62640651
2-[2-fluoro-6-[(1R)-1-hydroxyethyl]phenyl]sulfanyl-N-propylacetamide
CID 114234831

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide (CID 54938683) is 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide is CCCNC(=O)CNCC(O)c1ccccc1F.
What is the InChIKey of 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide?
The InChIKey is PIBPVMDYJRCNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-2-7-16-13(18)9-15-8-12(17)10-5-3-4-6-11(10)14/h3-6,12,15,17H,2,7-9H2,1H3,(H,16,18).
What are the key properties of 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide?
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide has a molecular weight of 254.30 g/mol, XLogP of 0.97, 7 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-propylacetamide is sourced from PubChem (CID 54938683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).