(2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)morpholin-2-yl]acetamide

C23H23FN4O5 — CID 58290562

IUPAC(2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)morpholin-2-yl]acetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc4c(c3)CC(=O)CC4)C2=O)cc1F
InChIInChI=1S/C23H23FN4O5/c24-18-11-14(3-6-17(18)21(25)26)27-22(31)19(30)20-23(32)28(7-8-33-20)15-4-1-12-2-5-16(29)10-13(12)9-15/h1,3-4,6,9,11,19-20,30H,2,5,7-8,10H2,(H3,25,26)(H,27,31)/t19-,20-/m1/s1
InChIKeyVBZMINKSONMQEH-WOJBJXKFSA-N
MW454.46 g/mol
LogP0.90
Rot. Bonds5

About (2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)morpholin-2-yl]acetamide

(2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)morpholin-2-yl]acetamide (PubChem CID 58290562) has the molecular formula C23H23FN4O5 and a molecular weight of 454.46 g/mol. Its IUPAC name is (2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)morpholin-2-yl]acetamide.

Molecular Properties

Compound Name(2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)morpholin-2-yl]acetamide
PubChem CID58290562
Molecular FormulaC23H23FN4O5
Molecular Weight454.46 g/mol
Exact Mass454.17
IUPAC Name(2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)morpholin-2-yl]acetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc4c(c3)CC(=O)CC4)C2=O)cc1F
InChIInChI=1S/C23H23FN4O5/c24-18-11-14(3-6-17(18)21(25)26)27-22(31)19(30)20-23(32)28(7-8-33-20)15-4-1-12-2-5-16(29)10-13(12)9-15/h1,3-4,6,9,11,19-20,30H,2,5,7-8,10H2,(H3,25,26)(H,27,31)/t19-,20-/m1/s1
InChIKeyVBZMINKSONMQEH-WOJBJXKFSA-N
XLogP0.90
TPSA145.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholin-2-yl]acetamide;hydrochloride
CID 67033577
(2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-phenylmorpholin-2-yl]acetamide
CID 58181622
(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-6-yl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 67222689
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxopyrrolidin-1-yl)phenyl]morpholin-2-yl]acetamide;hydrochloride
CID 67223354
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-2-yl]acetamide
CID 58181784
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide
CID 58181928
(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58181404
N-(4-carbamimidoylphenyl)-2-[(2R)-4-(4-ethylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 140562853
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)morpholin-2-yl]acetamide;hydrochloride
CID 67222881
N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(4-iodophenyl)-3-oxomorpholin-2-yl]acetamide;hydrochloride
CID 140562942
N-(4-carbamimidoylphenyl)-2-[(2R)-4-(4-ethylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride
CID 140562852
N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(1H-indol-6-yl)-3-oxomorpholin-2-yl]acetamide
CID 140562851

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)morpholin-2-yl]acetamide?
The IUPAC name of (2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)morpholin-2-yl]acetamide (CID 58290562) is (2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)morpholin-2-yl]acetamide.
What is the SMILES notation for (2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)morpholin-2-yl]acetamide?
The canonical SMILES for (2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)morpholin-2-yl]acetamide is [H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc4c(c3)CC(=O)CC4)C2=O)cc1F.
What is the InChIKey of (2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)morpholin-2-yl]acetamide?
The InChIKey is VBZMINKSONMQEH-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H23FN4O5/c24-18-11-14(3-6-17(18)21(25)26)27-22(31)19(30)20-23(32)28(7-8-33-20)15-4-1-12-2-5-16(29)10-13(12)9-15/h1,3-4,6,9,11,19-20,30H,2,5,7-8,10H2,(H3,25,26)(H,27,31)/t19-,20-/m1/s1.
What are the key properties of (2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)morpholin-2-yl]acetamide?
(2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)morpholin-2-yl]acetamide has a molecular weight of 454.46 g/mol, XLogP of 0.90, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)morpholin-2-yl]acetamide is sourced from PubChem (CID 58290562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).