(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide

C19H19FN4O4 — CID 58181420

IUPAC(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3cccc(F)c3)C2=O)cc1
InChIInChI=1S/C19H19FN4O4/c20-12-2-1-3-14(10-12)24-8-9-28-16(19(24)27)15(25)18(26)23-13-6-4-11(5-7-13)17(21)22/h1-7,10,15-16,25H,8-9H2,(H3,21,22)(H,23,26)/t15-,16-/m1/s1
InChIKeyJFOIIOGKQGSAFW-HZPDHXFCSA-N
MW386.38 g/mol
LogP0.84
Rot. Bonds5

About (2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide

(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide (PubChem CID 58181420) has the molecular formula C19H19FN4O4 and a molecular weight of 386.38 g/mol. Its IUPAC name is (2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
PubChem CID58181420
Molecular FormulaC19H19FN4O4
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3cccc(F)c3)C2=O)cc1
InChIInChI=1S/C19H19FN4O4/c20-12-2-1-3-14(10-12)24-8-9-28-16(19(24)27)15(25)18(26)23-13-6-4-11(5-7-13)17(21)22/h1-7,10,15-16,25H,8-9H2,(H3,21,22)(H,23,26)/t15-,16-/m1/s1
InChIKeyJFOIIOGKQGSAFW-HZPDHXFCSA-N
XLogP0.84
TPSA128.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The IUPAC name of (2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide (CID 58181420) is (2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for (2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The canonical SMILES for (2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide is [H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3cccc(F)c3)C2=O)cc1.
What is the InChIKey of (2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The InChIKey is JFOIIOGKQGSAFW-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H19FN4O4/c20-12-2-1-3-14(10-12)24-8-9-28-16(19(24)27)15(25)18(26)23-13-6-4-11(5-7-13)17(21)22/h1-7,10,15-16,25H,8-9H2,(H3,21,22)(H,23,26)/t15-,16-/m1/s1.
What are the key properties of (2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide has a molecular weight of 386.38 g/mol, XLogP of 0.84, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 58181420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).