(2R)-2-[(2S)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide

C15H19ClFN3O3 — CID 100856825

IUPAC(2R)-2-[(2S)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C15H19ClFN3O3/c1-9(14(21)19-15(22)18-2)20-5-6-23-13(8-20)10-3-4-12(17)11(16)7-10/h3-4,7,9,13H,5-6,8H2,1-2H3,(H2,18,19,21,22)/t9-,13-/m1/s1
InChIKeyVWMVSZSRLLHNFR-NOZJJQNGSA-N
MW343.79 g/mol
LogP1.70
Rot. Bonds3

About (2R)-2-[(2S)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide

(2R)-2-[(2S)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 100856825) has the molecular formula C15H19ClFN3O3 and a molecular weight of 343.79 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide
PubChem CID100856825
Molecular FormulaC15H19ClFN3O3
Molecular Weight343.79 g/mol
Exact Mass343.11
IUPAC Name(2R)-2-[(2S)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C15H19ClFN3O3/c1-9(14(21)19-15(22)18-2)20-5-6-23-13(8-20)10-3-4-12(17)11(16)7-10/h3-4,7,9,13H,5-6,8H2,1-2H3,(H2,18,19,21,22)/t9-,13-/m1/s1
InChIKeyVWMVSZSRLLHNFR-NOZJJQNGSA-N
XLogP1.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[(2S)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide (CID 100856825) is (2R)-2-[(2S)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[(2S)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[(2S)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of (2R)-2-[(2S)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is VWMVSZSRLLHNFR-NOZJJQNGSA-N. The full InChI is InChI=1S/C15H19ClFN3O3/c1-9(14(21)19-15(22)18-2)20-5-6-23-13(8-20)10-3-4-12(17)11(16)7-10/h3-4,7,9,13H,5-6,8H2,1-2H3,(H2,18,19,21,22)/t9-,13-/m1/s1.
What are the key properties of (2R)-2-[(2S)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide?
(2R)-2-[(2S)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 343.79 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 100856825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).