(2R)-3,3,3-trifluoro-N-[[(2R)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxy-2-phenylpropanamide

C22H24F4N2O3 — CID 10455909

IUPAC(2R)-3,3,3-trifluoro-N-[[(2R)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxy-2-phenylpropanamide
SMILESCO[C@@](C(=O)NC[C@@H]1CN(Cc2ccc(F)cc2)CCO1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C22H24F4N2O3/c1-30-21(22(24,25)26,17-5-3-2-4-6-17)20(29)27-13-19-15-28(11-12-31-19)14-16-7-9-18(23)10-8-16/h2-10,19H,11-15H2,1H3,(H,27,29)/t19-,21-/m1/s1
InChIKeyNNIPYPRICZEODH-TZIWHRDSSA-N
MW440.44 g/mol
LogP3.25
Rot. Bonds7

About (2R)-3,3,3-trifluoro-N-[[(2R)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxy-2-phenylpropanamide

(2R)-3,3,3-trifluoro-N-[[(2R)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxy-2-phenylpropanamide (PubChem CID 10455909) has the molecular formula C22H24F4N2O3 and a molecular weight of 440.44 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-N-[[(2R)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxy-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-N-[[(2R)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxy-2-phenylpropanamide
PubChem CID10455909
Molecular FormulaC22H24F4N2O3
Molecular Weight440.44 g/mol
Exact Mass440.17
IUPAC Name(2R)-3,3,3-trifluoro-N-[[(2R)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxy-2-phenylpropanamide
SMILESCO[C@@](C(=O)NC[C@@H]1CN(Cc2ccc(F)cc2)CCO1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C22H24F4N2O3/c1-30-21(22(24,25)26,17-5-3-2-4-6-17)20(29)27-13-19-15-28(11-12-31-19)14-16-7-9-18(23)10-8-16/h2-10,19H,11-15H2,1H3,(H,27,29)/t19-,21-/m1/s1
InChIKeyNNIPYPRICZEODH-TZIWHRDSSA-N
XLogP3.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 24640639
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
N-[(4-benzylmorpholin-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 43064031
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 51579370
[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl trifluoromethanesulfonate
CID 10360956
[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl trifluoromethanesulfonate
CID 10450961
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-N-[[(2R)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxy-2-phenylpropanamide?
The IUPAC name of (2R)-3,3,3-trifluoro-N-[[(2R)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxy-2-phenylpropanamide (CID 10455909) is (2R)-3,3,3-trifluoro-N-[[(2R)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxy-2-phenylpropanamide.
What is the SMILES notation for (2R)-3,3,3-trifluoro-N-[[(2R)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxy-2-phenylpropanamide?
The canonical SMILES for (2R)-3,3,3-trifluoro-N-[[(2R)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxy-2-phenylpropanamide is CO[C@@](C(=O)NC[C@@H]1CN(Cc2ccc(F)cc2)CCO1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-N-[[(2R)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxy-2-phenylpropanamide?
The InChIKey is NNIPYPRICZEODH-TZIWHRDSSA-N. The full InChI is InChI=1S/C22H24F4N2O3/c1-30-21(22(24,25)26,17-5-3-2-4-6-17)20(29)27-13-19-15-28(11-12-31-19)14-16-7-9-18(23)10-8-16/h2-10,19H,11-15H2,1H3,(H,27,29)/t19-,21-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-N-[[(2R)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxy-2-phenylpropanamide?
(2R)-3,3,3-trifluoro-N-[[(2R)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxy-2-phenylpropanamide has a molecular weight of 440.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-N-[[(2R)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxy-2-phenylpropanamide is sourced from PubChem (CID 10455909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).