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

C18H17FN2O4 — CID 95174446

IUPAC[(2R)-2-(2-fluorophenyl)morpholin-4-yl]-(2-methyl-3-nitrophenyl)methanone
SMILESCc1c(C(=O)N2CCO[C@H](c3ccccc3F)C2)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H17FN2O4/c1-12-13(6-4-8-16(12)21(23)24)18(22)20-9-10-25-17(11-20)14-5-2-3-7-15(14)19/h2-8,17H,9-11H2,1H3/t17-/m0/s1
InChIKeyMFMBZVFURFACBL-KRWDZBQOSA-N
MW344.34 g/mol
LogP3.26
Rot. Bonds3

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

[(2R)-2-(2-fluorophenyl)morpholin-4-yl]-(2-methyl-3-nitrophenyl)methanone (PubChem CID 95174446) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is [(2R)-2-(2-fluorophenyl)morpholin-4-yl]-(2-methyl-3-nitrophenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(2-fluorophenyl)morpholin-4-yl]-(2-methyl-3-nitrophenyl)methanone
PubChem CID95174446
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name[(2R)-2-(2-fluorophenyl)morpholin-4-yl]-(2-methyl-3-nitrophenyl)methanone
SMILESCc1c(C(=O)N2CCO[C@H](c3ccccc3F)C2)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H17FN2O4/c1-12-13(6-4-8-16(12)21(23)24)18(22)20-9-10-25-17(11-20)14-5-2-3-7-15(14)19/h2-8,17H,9-11H2,1H3/t17-/m0/s1
InChIKeyMFMBZVFURFACBL-KRWDZBQOSA-N
XLogP3.26
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 78849846
(3-hydroxypyrrolidin-1-yl)-(2-methyl-3-nitrophenyl)methanone
CID 62918267
[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 81469493
(4-chlorophenyl)-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110326668
(2,6-dimethylmorpholin-4-yl)-(2-methyl-3-nitrophenyl)methanone
CID 5198089
[4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 119315888
5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119183971
(3-aminopiperidin-1-yl)-(2-methyl-3-nitrophenyl)methanone;hydrochloride
CID 119377680
[1-(2-methyl-3-nitrobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490741
(2-amino-3-nitrophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 115678605
2-(2-fluorophenyl)-4-(2-methyl-8-nitroquinolin-4-yl)morpholine
CID 133437128
[2-(2-chlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 155946085

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-fluorophenyl)morpholin-4-yl]-(2-methyl-3-nitrophenyl)methanone?
The IUPAC name of [(2R)-2-(2-fluorophenyl)morpholin-4-yl]-(2-methyl-3-nitrophenyl)methanone (CID 95174446) is [(2R)-2-(2-fluorophenyl)morpholin-4-yl]-(2-methyl-3-nitrophenyl)methanone.
What is the SMILES notation for [(2R)-2-(2-fluorophenyl)morpholin-4-yl]-(2-methyl-3-nitrophenyl)methanone?
The canonical SMILES for [(2R)-2-(2-fluorophenyl)morpholin-4-yl]-(2-methyl-3-nitrophenyl)methanone is Cc1c(C(=O)N2CCO[C@H](c3ccccc3F)C2)cccc1[N+](=O)[O-].
What is the InChIKey of [(2R)-2-(2-fluorophenyl)morpholin-4-yl]-(2-methyl-3-nitrophenyl)methanone?
The InChIKey is MFMBZVFURFACBL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-12-13(6-4-8-16(12)21(23)24)18(22)20-9-10-25-17(11-20)14-5-2-3-7-15(14)19/h2-8,17H,9-11H2,1H3/t17-/m0/s1.
What are the key properties of [(2R)-2-(2-fluorophenyl)morpholin-4-yl]-(2-methyl-3-nitrophenyl)methanone?
[(2R)-2-(2-fluorophenyl)morpholin-4-yl]-(2-methyl-3-nitrophenyl)methanone has a molecular weight of 344.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-fluorophenyl)morpholin-4-yl]-(2-methyl-3-nitrophenyl)methanone is sourced from PubChem (CID 95174446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).