N-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide

C16H14F3N3O4 — CID 4792980

IUPACN-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3N3O4/c1-26-14-8-12(22(24)25)5-6-13(14)21-15(23)9-20-11-4-2-3-10(7-11)16(17,18)19/h2-8,20H,9H2,1H3,(H,21,23)
InChIKeyQEEHWAROWLNMMZ-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.67
Rot. Bonds6

About N-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide

N-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 4792980) has the molecular formula C16H14F3N3O4 and a molecular weight of 369.30 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID4792980
Molecular FormulaC16H14F3N3O4
Molecular Weight369.30 g/mol
Exact Mass369.09
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3N3O4/c1-26-14-8-12(22(24)25)5-6-13(14)21-15(23)9-20-11-4-2-3-10(7-11)16(17,18)19/h2-8,20H,9H2,1H3,(H,21,23)
InChIKeyQEEHWAROWLNMMZ-UHFFFAOYSA-N
XLogP3.67
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.67
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-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
CID 42070606
N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide
CID 9081418
2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 30706268
2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 37231406
2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 134008031
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4786705
2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1406683
N-(2-methoxy-4-nitrophenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277764
2-(4-fluoroanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9098658
N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 26417253
2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8822400

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide (CID 4792980) is N-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is QEEHWAROWLNMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O4/c1-26-14-8-12(22(24)25)5-6-13(14)21-15(23)9-20-11-4-2-3-10(7-11)16(17,18)19/h2-8,20H,9H2,1H3,(H,21,23).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide?
N-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 369.30 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 4792980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).