2-(4-fluorophenyl)-2-morpholin-4-yl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide

C20H20FN3O4 — CID 46978510

IUPAC2-(4-fluorophenyl)-2-morpholin-4-yl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
SMILESO=C1COc2cc(NC(=O)C(c3ccc(F)cc3)N3CCOCC3)ccc2N1
InChIInChI=1S/C20H20FN3O4/c21-14-3-1-13(2-4-14)19(24-7-9-27-10-8-24)20(26)22-15-5-6-16-17(11-15)28-12-18(25)23-16/h1-6,11,19H,7-10,12H2,(H,22,26)(H,23,25)
InChIKeyNFFYBXBPYMNJAR-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.17
Rot. Bonds4

About 2-(4-fluorophenyl)-2-morpholin-4-yl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide

2-(4-fluorophenyl)-2-morpholin-4-yl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide (PubChem CID 46978510) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-morpholin-4-yl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-morpholin-4-yl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
PubChem CID46978510
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name2-(4-fluorophenyl)-2-morpholin-4-yl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
SMILESO=C1COc2cc(NC(=O)C(c3ccc(F)cc3)N3CCOCC3)ccc2N1
InChIInChI=1S/C20H20FN3O4/c21-14-3-1-13(2-4-14)19(24-7-9-27-10-8-24)20(26)22-15-5-6-16-17(11-15)28-12-18(25)23-16/h1-6,11,19H,7-10,12H2,(H,22,26)(H,23,25)
InChIKeyNFFYBXBPYMNJAR-UHFFFAOYSA-N
XLogP2.17
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide
CID 93242397
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyrrolidin-1-ylpropanamide
CID 110226362
2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride
CID 119279078
7-[(4-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 24867130
2-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)acetamide
CID 4134863
2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 17011277
(2S)-2-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-morpholin-4-ylacetamide
CID 93242325
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 110211044
(E)-3-(3-fluorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)prop-2-enamide
CID 110493178
(3R)-3-(4-fluorophenyl)-3-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoic acid
CID 125147633
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 39968289
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide
CID 110244382

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-morpholin-4-yl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-morpholin-4-yl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide (CID 46978510) is 2-(4-fluorophenyl)-2-morpholin-4-yl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-morpholin-4-yl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-morpholin-4-yl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide is O=C1COc2cc(NC(=O)C(c3ccc(F)cc3)N3CCOCC3)ccc2N1.
What is the InChIKey of 2-(4-fluorophenyl)-2-morpholin-4-yl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide?
The InChIKey is NFFYBXBPYMNJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c21-14-3-1-13(2-4-14)19(24-7-9-27-10-8-24)20(26)22-15-5-6-16-17(11-15)28-12-18(25)23-16/h1-6,11,19H,7-10,12H2,(H,22,26)(H,23,25).
What are the key properties of 2-(4-fluorophenyl)-2-morpholin-4-yl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide?
2-(4-fluorophenyl)-2-morpholin-4-yl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide has a molecular weight of 385.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-morpholin-4-yl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide is sourced from PubChem (CID 46978510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).