N-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide

C13H19FN2O2 — CID 54953469

IUPACN-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide
SMILESCCNC(=O)C(C)NCC(O)c1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-3-15-13(18)9(2)16-8-12(17)10-6-4-5-7-11(10)14/h4-7,9,12,16-17H,3,8H2,1-2H3,(H,15,18)
InChIKeyISXXNPOMHRKKKH-UHFFFAOYSA-N
MW254.30 g/mol
LogP0.97
Rot. Bonds6

About N-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide

N-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide (PubChem CID 54953469) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide
PubChem CID54953469
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide
SMILESCCNC(=O)C(C)NCC(O)c1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-3-15-13(18)9(2)16-8-12(17)10-6-4-5-7-11(10)14/h4-7,9,12,16-17H,3,8H2,1-2H3,(H,15,18)
InChIKeyISXXNPOMHRKKKH-UHFFFAOYSA-N
XLogP0.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide
CID 54950525
(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide
CID 97181612
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
1-(2-fluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60744888
N-ethyl-2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 61476867
methyl 4-[(3R)-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]butyl]benzoate
CID 70590533
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide
CID 54938683
N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide
CID 18546205
4-[(3R)-3-[[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]butyl]-N-methylbenzamide
CID 57249014
N-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide
CID 47134375
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide
CID 111451334
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905547

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide?
The IUPAC name of N-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide (CID 54953469) is N-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide.
What is the SMILES notation for N-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide?
The canonical SMILES for N-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide is CCNC(=O)C(C)NCC(O)c1ccccc1F.
What is the InChIKey of N-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide?
The InChIKey is ISXXNPOMHRKKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-15-13(18)9(2)16-8-12(17)10-6-4-5-7-11(10)14/h4-7,9,12,16-17H,3,8H2,1-2H3,(H,15,18).
What are the key properties of N-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide?
N-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide has a molecular weight of 254.30 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide is sourced from PubChem (CID 54953469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).