N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide

C11H12F3N3O4 — CID 78915263

IUPACN-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOc1ccc(NC(=O)CNCC(F)(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H12F3N3O4/c1-21-7-2-3-8(9(4-7)17(19)20)16-10(18)5-15-6-11(12,13)14/h2-4,15H,5-6H2,1H3,(H,16,18)
InChIKeyIVNJTXVNYGSHMG-UHFFFAOYSA-N
MW307.23 g/mol
LogP1.69
Rot. Bonds6

About N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78915263) has the molecular formula C11H12F3N3O4 and a molecular weight of 307.23 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78915263
Molecular FormulaC11H12F3N3O4
Molecular Weight307.23 g/mol
Exact Mass307.08
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOc1ccc(NC(=O)CNCC(F)(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H12F3N3O4/c1-21-7-2-3-8(9(4-7)17(19)20)16-10(18)5-15-6-11(12,13)14/h2-4,15H,5-6H2,1H3,(H,16,18)
InChIKeyIVNJTXVNYGSHMG-UHFFFAOYSA-N
XLogP1.69
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 51.69
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-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 102695182
2-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 115569447
3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
CID 60835998
2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 37175471
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4806528
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9099548
N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522119
N-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456709
4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 79204847

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78915263) is N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide is COc1ccc(NC(=O)CNCC(F)(F)F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is IVNJTXVNYGSHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O4/c1-21-7-2-3-8(9(4-7)17(19)20)16-10(18)5-15-6-11(12,13)14/h2-4,15H,5-6H2,1H3,(H,16,18).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 307.23 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78915263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).