N-(3-fluoro-5-nitrophenyl)morpholine-2-carboxamide

C11H12FN3O4 — CID 107335167

IUPACN-(3-fluoro-5-nitrophenyl)morpholine-2-carboxamide
SMILESO=C(Nc1cc(F)cc([N+](=O)[O-])c1)C1CNCCO1
InChIInChI=1S/C11H12FN3O4/c12-7-3-8(5-9(4-7)15(17)18)14-11(16)10-6-13-1-2-19-10/h3-5,10,13H,1-2,6H2,(H,14,16)
InChIKeyJMJPCAGAOXSWSR-UHFFFAOYSA-N
MW269.23 g/mol
LogP0.66
Rot. Bonds3

About N-(3-fluoro-5-nitrophenyl)morpholine-2-carboxamide

N-(3-fluoro-5-nitrophenyl)morpholine-2-carboxamide (PubChem CID 107335167) has the molecular formula C11H12FN3O4 and a molecular weight of 269.23 g/mol. Its IUPAC name is N-(3-fluoro-5-nitrophenyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-nitrophenyl)morpholine-2-carboxamide
PubChem CID107335167
Molecular FormulaC11H12FN3O4
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC NameN-(3-fluoro-5-nitrophenyl)morpholine-2-carboxamide
SMILESO=C(Nc1cc(F)cc([N+](=O)[O-])c1)C1CNCCO1
InChIInChI=1S/C11H12FN3O4/c12-7-3-8(5-9(4-7)15(17)18)14-11(16)10-6-13-1-2-19-10/h3-5,10,13H,1-2,6H2,(H,14,16)
InChIKeyJMJPCAGAOXSWSR-UHFFFAOYSA-N
XLogP0.66
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 50.66
H-Bond Donors ≤ 52
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

N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride
CID 119871805
N-(2,4,5-trifluorophenyl)morpholine-2-carboxamide
CID 62816271
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-(6-fluoro-3-pyridinyl)morpholine-2-carboxamide
CID 103808720
dimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride
CID 119673723
N-(3-fluoro-5-nitrophenyl)-3-methylpyrrolidine-3-carboxamide
CID 107335130
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119702027
N-(5-fluoro-2-pyridinyl)morpholine-2-carboxamide
CID 65480472
N-(3,5-difluorophenyl)-2-morpholin-2-ylacetamide
CID 66433764
(2R)-N-(6-cyano-5-fluoro-3-pyridinyl)morpholine-2-carboxamide;hydrochloride
CID 130221349
N-(3-fluoro-5-nitrophenyl)propanamide
CID 107335364

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-nitrophenyl)morpholine-2-carboxamide?
The IUPAC name of N-(3-fluoro-5-nitrophenyl)morpholine-2-carboxamide (CID 107335167) is N-(3-fluoro-5-nitrophenyl)morpholine-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-nitrophenyl)morpholine-2-carboxamide?
The canonical SMILES for N-(3-fluoro-5-nitrophenyl)morpholine-2-carboxamide is O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C1CNCCO1.
What is the InChIKey of N-(3-fluoro-5-nitrophenyl)morpholine-2-carboxamide?
The InChIKey is JMJPCAGAOXSWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O4/c12-7-3-8(5-9(4-7)15(17)18)14-11(16)10-6-13-1-2-19-10/h3-5,10,13H,1-2,6H2,(H,14,16).
What are the key properties of N-(3-fluoro-5-nitrophenyl)morpholine-2-carboxamide?
N-(3-fluoro-5-nitrophenyl)morpholine-2-carboxamide has a molecular weight of 269.23 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-nitrophenyl)morpholine-2-carboxamide is sourced from PubChem (CID 107335167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).