3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide

C12H16F2N2O3 — CID 106171785

IUPAC3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide
SMILESCC(NCC(O)C(N)=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C12H16F2N2O3/c1-7(16-6-10(17)11(15)18)8-2-4-9(5-3-8)19-12(13)14/h2-5,7,10,12,16-17H,6H2,1H3,(H2,15,18)
InChIKeyVYAZDTOEOHOJHI-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.78
Rot. Bonds7

About 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide

3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide (PubChem CID 106171785) has the molecular formula C12H16F2N2O3 and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide
PubChem CID106171785
Molecular FormulaC12H16F2N2O3
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide
SMILESCC(NCC(O)C(N)=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C12H16F2N2O3/c1-7(16-6-10(17)11(15)18)8-2-4-9(5-3-8)19-12(13)14/h2-5,7,10,12,16-17H,6H2,1H3,(H2,15,18)
InChIKeyVYAZDTOEOHOJHI-UHFFFAOYSA-N
XLogP0.78
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 106170555
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol
CID 65031608
2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide
CID 114153568
N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide
CID 43103925
4-[1-[4-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 54920730
1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol
CID 103788003
N'-[1-[4-(difluoromethoxy)phenyl]ethyl]butane-1,4-diamine
CID 60895427
4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol
CID 43205404
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
CID 111424743
2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 97333586
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide
CID 114153528

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide (CID 106171785) is 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide is CC(NCC(O)C(N)=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide?
The InChIKey is VYAZDTOEOHOJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3/c1-7(16-6-10(17)11(15)18)8-2-4-9(5-3-8)19-12(13)14/h2-5,7,10,12,16-17H,6H2,1H3,(H2,15,18).
What are the key properties of 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide?
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide has a molecular weight of 274.27 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106171785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).