(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide

C18H20FNO3 — CID 99132204

IUPAC(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO3/c1-12(14-8-10-15(19)11-9-14)20-18(21)13(2)23-17-7-5-4-6-16(17)22-3/h4-13H,1-3H3,(H,20,21)/t12-,13+/m0/s1
InChIKeyRBHKELQFWKAADQ-QWHCGFSZSA-N
MW317.36 g/mol
LogP3.48
Rot. Bonds6

About (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide

(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide (PubChem CID 99132204) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
PubChem CID99132204
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO3/c1-12(14-8-10-15(19)11-9-14)20-18(21)13(2)23-17-7-5-4-6-16(17)22-3/h4-13H,1-3H3,(H,20,21)/t12-,13+/m0/s1
InChIKeyRBHKELQFWKAADQ-QWHCGFSZSA-N
XLogP3.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 92682028
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 99132356
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 99132357
(2S)-2-(2,3-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 7372385
2-(4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 21173393
2-(2-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 133190824
N-[1-(4-fluorophenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 46763869
2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide
CID 132660324
[(2S)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate
CID 8663691
(2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28633960
2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 42990409
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28633959

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide?
The IUPAC name of (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide (CID 99132204) is (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide is COc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide?
The InChIKey is RBHKELQFWKAADQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-12(14-8-10-15(19)11-9-14)20-18(21)13(2)23-17-7-5-4-6-16(17)22-3/h4-13H,1-3H3,(H,20,21)/t12-,13+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide?
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide has a molecular weight of 317.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 99132204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).