(2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide

C17H22FNO4 — CID 94348949

IUPAC(2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide
SMILESO=C([C@H]1COCCO1)N(Cc1cccc(F)c1)C[C@H]1CCCO1
InChIInChI=1S/C17H22FNO4/c18-14-4-1-3-13(9-14)10-19(11-15-5-2-6-22-15)17(20)16-12-21-7-8-23-16/h1,3-4,9,15-16H,2,5-8,10-12H2/t15-,16-/m1/s1
InChIKeyRXDFDWLLVVMIRC-HZPDHXFCSA-N
MW323.36 g/mol
LogP1.75
Rot. Bonds5

About (2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide

(2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide (PubChem CID 94348949) has the molecular formula C17H22FNO4 and a molecular weight of 323.36 g/mol. Its IUPAC name is (2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide
PubChem CID94348949
Molecular FormulaC17H22FNO4
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name(2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide
SMILESO=C([C@H]1COCCO1)N(Cc1cccc(F)c1)C[C@H]1CCCO1
InChIInChI=1S/C17H22FNO4/c18-14-4-1-3-13(9-14)10-19(11-15-5-2-6-22-15)17(20)16-12-21-7-8-23-16/h1,3-4,9,15-16H,2,5-8,10-12H2/t15-,16-/m1/s1
InChIKeyRXDFDWLLVVMIRC-HZPDHXFCSA-N
XLogP1.75
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,5R)-5-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)carbamoyl]-3-methyloxolane-2-carboxylic acid
CID 136584620
3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 119759146
3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119759143
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71876169
N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94348968
(3S)-N-[(3-fluorophenyl)methyl]-1-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 94348951
2-cyclohexylidene-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97011423
2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 99804168
N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 52528690
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71935038
N-[(3-fluorophenyl)methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94364646
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 47087966

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of (2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide (CID 94348949) is (2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide is O=C([C@H]1COCCO1)N(Cc1cccc(F)c1)C[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide?
The InChIKey is RXDFDWLLVVMIRC-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H22FNO4/c18-14-4-1-3-13(9-14)10-19(11-15-5-2-6-22-15)17(20)16-12-21-7-8-23-16/h1,3-4,9,15-16H,2,5-8,10-12H2/t15-,16-/m1/s1.
What are the key properties of (2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide?
(2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 94348949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).