(2R)-N-[(1S)-2-(4-fluorophenyl)-1-phenylethyl]-1,4-dioxane-2-carboxamide

C19H20FNO3 — CID 95231724

IUPAC(2R)-N-[(1S)-2-(4-fluorophenyl)-1-phenylethyl]-1,4-dioxane-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccc(F)cc1)c1ccccc1)[C@H]1COCCO1
InChIInChI=1S/C19H20FNO3/c20-16-8-6-14(7-9-16)12-17(15-4-2-1-3-5-15)21-19(22)18-13-23-10-11-24-18/h1-9,17-18H,10-13H2,(H,21,22)/t17-,18+/m0/s1
InChIKeyBSZJFSPYOFOUGG-ZWKOTPCHSA-N
MW329.37 g/mol
LogP2.64
Rot. Bonds5

About (2R)-N-[(1S)-2-(4-fluorophenyl)-1-phenylethyl]-1,4-dioxane-2-carboxamide

(2R)-N-[(1S)-2-(4-fluorophenyl)-1-phenylethyl]-1,4-dioxane-2-carboxamide (PubChem CID 95231724) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-(4-fluorophenyl)-1-phenylethyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-2-(4-fluorophenyl)-1-phenylethyl]-1,4-dioxane-2-carboxamide
PubChem CID95231724
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(2R)-N-[(1S)-2-(4-fluorophenyl)-1-phenylethyl]-1,4-dioxane-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccc(F)cc1)c1ccccc1)[C@H]1COCCO1
InChIInChI=1S/C19H20FNO3/c20-16-8-6-14(7-9-16)12-17(15-4-2-1-3-5-15)21-19(22)18-13-23-10-11-24-18/h1-9,17-18H,10-13H2,(H,21,22)/t17-,18+/m0/s1
InChIKeyBSZJFSPYOFOUGG-ZWKOTPCHSA-N
XLogP2.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide
CID 95234220
N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 119754107
(2R)-2-benzyl-3-[[(2R)-1,4-dioxane-2-carbonyl]amino]propanoic acid
CID 125119461
(2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide
CID 94198152
(2R)-N-[(S)-(3-chlorophenyl)-(3-fluorophenyl)methyl]-1,4-dioxane-2-carboxamide
CID 97077207
N-phenyl-1,4-dioxane-2-carboxamide
CID 47176768
(2S)-N-phenyl-1,4-dioxane-2-carboxamide
CID 39885866
(2S,5R)-5-(aminomethyl)-N-(1,2-diphenylethyl)oxolane-2-carboxamide
CID 120784380
N-phenylmethoxy-1,4-dioxane-2-carboxamide
CID 60756176
(3R)-3-(4-fluorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]propanoic acid
CID 124704267
N-[(1S)-2-hydroxy-1-phenylethyl]morpholine-3-carboxamide
CID 107862923
N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide
CID 57091313

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2-(4-fluorophenyl)-1-phenylethyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of (2R)-N-[(1S)-2-(4-fluorophenyl)-1-phenylethyl]-1,4-dioxane-2-carboxamide (CID 95231724) is (2R)-N-[(1S)-2-(4-fluorophenyl)-1-phenylethyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-2-(4-fluorophenyl)-1-phenylethyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-2-(4-fluorophenyl)-1-phenylethyl]-1,4-dioxane-2-carboxamide is O=C(N[C@@H](Cc1ccc(F)cc1)c1ccccc1)[C@H]1COCCO1.
What is the InChIKey of (2R)-N-[(1S)-2-(4-fluorophenyl)-1-phenylethyl]-1,4-dioxane-2-carboxamide?
The InChIKey is BSZJFSPYOFOUGG-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-16-8-6-14(7-9-16)12-17(15-4-2-1-3-5-15)21-19(22)18-13-23-10-11-24-18/h1-9,17-18H,10-13H2,(H,21,22)/t17-,18+/m0/s1.
What are the key properties of (2R)-N-[(1S)-2-(4-fluorophenyl)-1-phenylethyl]-1,4-dioxane-2-carboxamide?
(2R)-N-[(1S)-2-(4-fluorophenyl)-1-phenylethyl]-1,4-dioxane-2-carboxamide has a molecular weight of 329.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-2-(4-fluorophenyl)-1-phenylethyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 95231724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).