2-methoxy-N-[3-nitro-5-(trifluoromethyl)phenyl]acetamide

C10H9F3N2O4 — CID 90020182

IUPAC2-methoxy-N-[3-nitro-5-(trifluoromethyl)phenyl]acetamide
SMILESCOCC(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3N2O4/c1-19-5-9(16)14-7-2-6(10(11,12)13)3-8(4-7)15(17)18/h2-4H,5H2,1H3,(H,14,16)
InChIKeyVYPHULFEJARTLN-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.20
Rot. Bonds4

About 2-methoxy-N-[3-nitro-5-(trifluoromethyl)phenyl]acetamide

2-methoxy-N-[3-nitro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 90020182) has the molecular formula C10H9F3N2O4 and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-methoxy-N-[3-nitro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-nitro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID90020182
Molecular FormulaC10H9F3N2O4
Molecular Weight278.19 g/mol
Exact Mass278.05
IUPAC Name2-methoxy-N-[3-nitro-5-(trifluoromethyl)phenyl]acetamide
SMILESCOCC(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3N2O4/c1-19-5-9(16)14-7-2-6(10(11,12)13)3-8(4-7)15(17)18/h2-4H,5H2,1H3,(H,14,16)
InChIKeyVYPHULFEJARTLN-UHFFFAOYSA-N
XLogP2.20
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 52.20
H-Bond Donors ≤ 51
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

(3Z)-3-ethenyl-N-[3-nitro-5-(trifluoromethyl)phenyl]hexa-3,5-dienamide
CID 177043790
3-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]-5-nitrobenzoic acid
CID 70623675
2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1406683
N'-[3-nitro-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833851
N-(3-fluoro-5-nitrophenyl)propanamide
CID 107335364
2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide
CID 46568580
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(4-nitrophenoxy)acetate
CID 7770386
N-[4-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]phenyl]-2-methoxyacetamide
CID 35542103
4-[4-nitro-2-(trifluoromethyl)phenoxy]-N-[3-nitro-5-(trifluoromethyl)phenyl]benzamide
CID 176915777
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-amino-4-nitrobenzoate
CID 7149101
N-(3-tert-butylphenyl)-2-methoxyacetamide
CID 59139856
(3Z)-3-[(2-methoxyacetyl)hydrazinylidene]-N-(3-nitrophenyl)butanamide
CID 6167457

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-nitro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-nitro-5-(trifluoromethyl)phenyl]acetamide (CID 90020182) is 2-methoxy-N-[3-nitro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-nitro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-nitro-5-(trifluoromethyl)phenyl]acetamide is COCC(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-N-[3-nitro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VYPHULFEJARTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O4/c1-19-5-9(16)14-7-2-6(10(11,12)13)3-8(4-7)15(17)18/h2-4H,5H2,1H3,(H,14,16).
What are the key properties of 2-methoxy-N-[3-nitro-5-(trifluoromethyl)phenyl]acetamide?
2-methoxy-N-[3-nitro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 278.19 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-nitro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 90020182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).