(2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide

C18H19F2NO2 — CID 39927724

IUPAC(2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide
SMILESC[C@H](NC(=O)[C@@H](C)OCc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C18H19F2NO2/c1-12(16-9-8-15(19)10-17(16)20)21-18(22)13(2)23-11-14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,21,22)/t12-,13+/m0/s1
InChIKeyDWHQIWGZVWZORD-QWHCGFSZSA-N
MW319.35 g/mol
LogP3.75
Rot. Bonds6

About (2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide

(2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide (PubChem CID 39927724) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide
PubChem CID39927724
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name(2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide
SMILESC[C@H](NC(=O)[C@@H](C)OCc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C18H19F2NO2/c1-12(16-9-8-15(19)10-17(16)20)21-18(22)13(2)23-11-14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,21,22)/t12-,13+/m0/s1
InChIKeyDWHQIWGZVWZORD-QWHCGFSZSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one
CID 51063986
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126
N-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 110879965
4-[1-(2,4-difluorophenyl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496981
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
CID 8782142
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 43702013
3-methyl-2-(2-phenylmethoxypropanoylamino)butanoic acid
CID 43354070
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7514907
(2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride
CID 119269517

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide?
The IUPAC name of (2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide (CID 39927724) is (2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide?
The canonical SMILES for (2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide is C[C@H](NC(=O)[C@@H](C)OCc1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of (2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide?
The InChIKey is DWHQIWGZVWZORD-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-12(16-9-8-15(19)10-17(16)20)21-18(22)13(2)23-11-14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,21,22)/t12-,13+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide?
(2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide has a molecular weight of 319.35 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 39927724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).