(2,2-dimethylmorpholin-4-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone

C14H17FN2O4 — CID 103297173

IUPAC(2,2-dimethylmorpholin-4-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone
SMILESCc1cc([N+](=O)[O-])cc(C(=O)N2CCOC(C)(C)C2)c1F
InChIInChI=1S/C14H17FN2O4/c1-9-6-10(17(19)20)7-11(12(9)15)13(18)16-4-5-21-14(2,3)8-16/h6-7H,4-5,8H2,1-3H3
InChIKeyJPEIRBOIQSXKAH-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.29
Rot. Bonds2

About (2,2-dimethylmorpholin-4-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone

(2,2-dimethylmorpholin-4-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone (PubChem CID 103297173) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone
PubChem CID103297173
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name(2,2-dimethylmorpholin-4-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone
SMILESCc1cc([N+](=O)[O-])cc(C(=O)N2CCOC(C)(C)C2)c1F
InChIInChI=1S/C14H17FN2O4/c1-9-6-10(17(19)20)7-11(12(9)15)13(18)16-4-5-21-14(2,3)8-16/h6-7H,4-5,8H2,1-3H3
InChIKeyJPEIRBOIQSXKAH-UHFFFAOYSA-N
XLogP2.29
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.29
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

(2,2-dimethylthiomorpholin-4-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone
CID 103297613
(2,2-dimethylmorpholin-4-yl)-(2-iodo-5-nitrophenyl)methanone
CID 43430989
(3,4-dimethylpiperidin-1-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone
CID 103297610
2-fluoro-3-methyl-5-nitrobenzoic acid
CID 80701808
1-(2-fluoro-3-methyl-5-nitrophenyl)ethanone
CID 131091224
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-fluoro-3-methyl-5-nitrophenyl)methanone
CID 103297748
(5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 65307467
(2-fluoro-3-methyl-5-nitrophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 103297718
2-fluoro-N,N,3-trimethyl-5-nitrobenzamide
CID 103297077
(3-chloro-4-nitrophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 82781380
(2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 67326501
(2-fluoro-3-methyl-5-nitrophenyl)-(3-methylthiomorpholin-4-yl)methanone
CID 103297390

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone (CID 103297173) is (2,2-dimethylmorpholin-4-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone is Cc1cc([N+](=O)[O-])cc(C(=O)N2CCOC(C)(C)C2)c1F.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone?
The InChIKey is JPEIRBOIQSXKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-9-6-10(17(19)20)7-11(12(9)15)13(18)16-4-5-21-14(2,3)8-16/h6-7H,4-5,8H2,1-3H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone?
(2,2-dimethylmorpholin-4-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone has a molecular weight of 296.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone is sourced from PubChem (CID 103297173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).