N-(2-fluoro-6-nitrophenyl)morpholine-3-carboxamide

C11H12FN3O4 — CID 81309920

IUPACN-(2-fluoro-6-nitrophenyl)morpholine-3-carboxamide
SMILESO=C(Nc1c(F)cccc1[N+](=O)[O-])C1COCCN1
InChIInChI=1S/C11H12FN3O4/c12-7-2-1-3-9(15(17)18)10(7)14-11(16)8-6-19-5-4-13-8/h1-3,8,13H,4-6H2,(H,14,16)
InChIKeyTXHCGJHSXDCKOH-UHFFFAOYSA-N
MW269.23 g/mol
LogP0.66
Rot. Bonds3

About N-(2-fluoro-6-nitrophenyl)morpholine-3-carboxamide

N-(2-fluoro-6-nitrophenyl)morpholine-3-carboxamide (PubChem CID 81309920) has the molecular formula C11H12FN3O4 and a molecular weight of 269.23 g/mol. Its IUPAC name is N-(2-fluoro-6-nitrophenyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-6-nitrophenyl)morpholine-3-carboxamide
PubChem CID81309920
Molecular FormulaC11H12FN3O4
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC NameN-(2-fluoro-6-nitrophenyl)morpholine-3-carboxamide
SMILESO=C(Nc1c(F)cccc1[N+](=O)[O-])C1COCCN1
InChIInChI=1S/C11H12FN3O4/c12-7-2-1-3-9(15(17)18)10(7)14-11(16)8-6-19-5-4-13-8/h1-3,8,13H,4-6H2,(H,14,16)
InChIKeyTXHCGJHSXDCKOH-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-(2-fluoro-6-nitrophenyl)pyrrolidine-2-carboxamide
CID 81310199
N-(2,6-dibromophenyl)morpholine-3-carboxamide
CID 107599564
N-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83192750
N-(2-fluoro-6-nitrophenyl)-2-morpholin-2-ylacetamide
CID 81311080
methyl 3-(2-fluoro-6-nitroanilino)-3-oxopropanoate
CID 170375217
(3S)-N-(2-hydroxyphenyl)morpholine-3-carboxamide
CID 96998659
N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide
CID 119764590
3-(2-fluoro-3-nitrophenyl)morpholine
CID 130041591
N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 43124050
(3R)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]morpholine-3-carboxamide
CID 124588211
N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride
CID 119764589
N-[4-[(2-fluorophenyl)methoxy]phenyl]morpholine-3-carboxamide
CID 119762553

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-nitrophenyl)morpholine-3-carboxamide?
The IUPAC name of N-(2-fluoro-6-nitrophenyl)morpholine-3-carboxamide (CID 81309920) is N-(2-fluoro-6-nitrophenyl)morpholine-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-6-nitrophenyl)morpholine-3-carboxamide?
The canonical SMILES for N-(2-fluoro-6-nitrophenyl)morpholine-3-carboxamide is O=C(Nc1c(F)cccc1[N+](=O)[O-])C1COCCN1.
What is the InChIKey of N-(2-fluoro-6-nitrophenyl)morpholine-3-carboxamide?
The InChIKey is TXHCGJHSXDCKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O4/c12-7-2-1-3-9(15(17)18)10(7)14-11(16)8-6-19-5-4-13-8/h1-3,8,13H,4-6H2,(H,14,16).
What are the key properties of N-(2-fluoro-6-nitrophenyl)morpholine-3-carboxamide?
N-(2-fluoro-6-nitrophenyl)morpholine-3-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-(2-fluoro-6-nitrophenyl)morpholine-3-carboxamide is sourced from PubChem (CID 81309920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).