[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone

C17H15FN2O5 — CID 38374136

IUPAC[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C17H15FN2O5/c18-13-4-1-11(2-5-13)16-10-19(7-8-25-16)17(22)12-3-6-14(20(23)24)15(21)9-12/h1-6,9,16,21H,7-8,10H2/t16-/m0/s1
InChIKeyQHRHVSUDAQHNCU-INIZCTEOSA-N
MW346.31 g/mol
LogP2.65
Rot. Bonds3

About [(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone

[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone (PubChem CID 38374136) has the molecular formula C17H15FN2O5 and a molecular weight of 346.31 g/mol. Its IUPAC name is [(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone
PubChem CID38374136
Molecular FormulaC17H15FN2O5
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C17H15FN2O5/c18-13-4-1-11(2-5-13)16-10-19(7-8-25-16)17(22)12-3-6-14(20(23)24)15(21)9-12/h1-6,9,16,21H,7-8,10H2/t16-/m0/s1
InChIKeyQHRHVSUDAQHNCU-INIZCTEOSA-N
XLogP2.65
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 38374133
(4-chloro-2-nitrophenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 46579200
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 38372236
(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 84545325
[2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone
CID 78950100
[2-(4-bromophenyl)morpholin-4-yl]-(3,5-dinitrophenyl)methanone
CID 60587125
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
CID 121134505
[2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 47023687
4-(3-fluoro-4-nitrobenzoyl)morpholine-2-carboxylic acid
CID 62681609
[2-(4-methylphenyl)morpholin-4-yl]-(3-nitrophenyl)methanone
CID 121134777
N-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide
CID 134044426

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone?
The IUPAC name of [(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone (CID 38374136) is [(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone.
What is the SMILES notation for [(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone?
The canonical SMILES for [(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone is O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of [(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone?
The InChIKey is QHRHVSUDAQHNCU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15FN2O5/c18-13-4-1-11(2-5-13)16-10-19(7-8-25-16)17(22)12-3-6-14(20(23)24)15(21)9-12/h1-6,9,16,21H,7-8,10H2/t16-/m0/s1.
What are the key properties of [(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone?
[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone has a molecular weight of 346.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone is sourced from PubChem (CID 38374136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).