N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide

C15H21FN2O2 — CID 31502166

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)N[C@@H](C)c2ccc(F)cc2)CCO1
InChIInChI=1S/C15H21FN2O2/c1-11-9-18(7-8-20-11)10-15(19)17-12(2)13-3-5-14(16)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)/t11-,12+/m1/s1
InChIKeyCCBVDWKNYWISQY-NEPJUHHUSA-N
MW280.34 g/mol
LogP1.72
Rot. Bonds4

About N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide (PubChem CID 31502166) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide
PubChem CID31502166
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)N[C@@H](C)c2ccc(F)cc2)CCO1
InChIInChI=1S/C15H21FN2O2/c1-11-9-18(7-8-20-11)10-15(19)17-12(2)13-3-5-14(16)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)/t11-,12+/m1/s1
InChIKeyCCBVDWKNYWISQY-NEPJUHHUSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79834633
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 2534176
2-[(2R)-2-methylmorpholin-4-yl]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 98449703
2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119923921
N-[bis(4-methoxyphenyl)methyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 30263510
(3S)-1-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 125147582
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 46677677
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 30254150
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95332208
N-[1-(4-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 4779861
2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 86825537
N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylmorpholin-4-yl)acetamide
CID 134055268

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide (CID 31502166) is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide is C[C@@H]1CN(CC(=O)N[C@@H](C)c2ccc(F)cc2)CCO1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide?
The InChIKey is CCBVDWKNYWISQY-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11-9-18(7-8-20-11)10-15(19)17-12(2)13-3-5-14(16)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)/t11-,12+/m1/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide has a molecular weight of 280.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide is sourced from PubChem (CID 31502166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).