N-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide

C12H13F2N3O4 — CID 66433794

IUPACN-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)Nc1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C12H13F2N3O4/c13-8-4-9(14)11(17(19)20)5-10(8)16-12(18)3-7-6-15-1-2-21-7/h4-5,7,15H,1-3,6H2,(H,16,18)
InChIKeyQEPFMYSFBFBVEI-UHFFFAOYSA-N
MW301.25 g/mol
LogP1.19
Rot. Bonds4

About N-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide

N-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide (PubChem CID 66433794) has the molecular formula C12H13F2N3O4 and a molecular weight of 301.25 g/mol. Its IUPAC name is N-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide
PubChem CID66433794
Molecular FormulaC12H13F2N3O4
Molecular Weight301.25 g/mol
Exact Mass301.09
IUPAC NameN-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)Nc1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C12H13F2N3O4/c13-8-4-9(14)11(17(19)20)5-10(8)16-12(18)3-7-6-15-1-2-21-7/h4-5,7,15H,1-3,6H2,(H,16,18)
InChIKeyQEPFMYSFBFBVEI-UHFFFAOYSA-N
XLogP1.19
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 51.19
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)-2-morpholin-2-ylacetamide
CID 81311080
N-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide
CID 66428523
N-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylacetamide
CID 66432981
N-(3,5-difluorophenyl)-2-morpholin-2-ylacetamide
CID 66433764
N-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylacetamide
CID 113266175
N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide
CID 103808527
methyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate
CID 66428476
N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide
CID 66427683
N-(4-bromo-3-fluorophenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119706261
2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide
CID 66426771
N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119679107
N-(2-bromo-4-sulfamoylphenyl)-2-morpholin-2-ylacetamide
CID 66428260

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide?
The IUPAC name of N-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide (CID 66433794) is N-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide?
The canonical SMILES for N-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide is O=C(CC1CNCCO1)Nc1cc([N+](=O)[O-])c(F)cc1F.
What is the InChIKey of N-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide?
The InChIKey is QEPFMYSFBFBVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O4/c13-8-4-9(14)11(17(19)20)5-10(8)16-12(18)3-7-6-15-1-2-21-7/h4-5,7,15H,1-3,6H2,(H,16,18).
What are the key properties of N-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide?
N-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide has a molecular weight of 301.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-5-nitrophenyl)-2-morpholin-2-ylacetamide is sourced from PubChem (CID 66433794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).