4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetyl]amino]benzamide

C20H18F3N3O5 — CID 58181405

IUPAC4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C20H18F3N3O5/c21-20(22,23)12-3-7-14(8-4-12)26-9-10-31-16(19(26)30)15(27)18(29)25-13-5-1-11(2-6-13)17(24)28/h1-8,15-16,27H,9-10H2,(H2,24,28)(H,25,29)/t15-,16-/m1/s1
InChIKeyAAYSADUNQCXNLZ-HZPDHXFCSA-N
MW437.37 g/mol
LogP1.54
Rot. Bonds5

About 4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetyl]amino]benzamide

4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetyl]amino]benzamide (PubChem CID 58181405) has the molecular formula C20H18F3N3O5 and a molecular weight of 437.37 g/mol. Its IUPAC name is 4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetyl]amino]benzamide
PubChem CID58181405
Molecular FormulaC20H18F3N3O5
Molecular Weight437.37 g/mol
Exact Mass437.12
IUPAC Name4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C20H18F3N3O5/c21-20(22,23)12-3-7-14(8-4-12)26-9-10-31-16(19(26)30)15(27)18(29)25-13-5-1-11(2-6-13)17(24)28/h1-8,15-16,27H,9-10H2,(H2,24,28)(H,25,29)/t15-,16-/m1/s1
InChIKeyAAYSADUNQCXNLZ-HZPDHXFCSA-N
XLogP1.54
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetyl]amino]benzamide (CID 58181405) is 4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1.
What is the InChIKey of 4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetyl]amino]benzamide?
The InChIKey is AAYSADUNQCXNLZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H18F3N3O5/c21-20(22,23)12-3-7-14(8-4-12)26-9-10-31-16(19(26)30)15(27)18(29)25-13-5-1-11(2-6-13)17(24)28/h1-8,15-16,27H,9-10H2,(H2,24,28)(H,25,29)/t15-,16-/m1/s1.
What are the key properties of 4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetyl]amino]benzamide?
4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetyl]amino]benzamide has a molecular weight of 437.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetyl]amino]benzamide is sourced from PubChem (CID 58181405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).