2-(3-methyl-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide

C16H13F3N2O4 — CID 112828317

IUPAC2-(3-methyl-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C16H13F3N2O4/c1-10-3-2-4-13(15(10)21(23)24)25-9-14(22)20-12-7-5-11(6-8-12)16(17,18)19/h2-8H,9H2,1H3,(H,20,22)
InChIKeyGKFHHDKUMAYTFR-UHFFFAOYSA-N
MW354.28 g/mol
LogP3.94
Rot. Bonds5

About 2-(3-methyl-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(3-methyl-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 112828317) has the molecular formula C16H13F3N2O4 and a molecular weight of 354.28 g/mol. Its IUPAC name is 2-(3-methyl-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID112828317
Molecular FormulaC16H13F3N2O4
Molecular Weight354.28 g/mol
Exact Mass354.08
IUPAC Name2-(3-methyl-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C16H13F3N2O4/c1-10-3-2-4-13(15(10)21(23)24)25-9-14(22)20-12-7-5-11(6-8-12)16(17,18)19/h2-8H,9H2,1H3,(H,20,22)
InChIKeyGKFHHDKUMAYTFR-UHFFFAOYSA-N
XLogP3.94
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 53.94
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

2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071565
2-(5-fluoro-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7846238
2-(3-methyl-2-nitrophenoxy)acetic acid
CID 43437973
2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1406683
2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071417
4-methyl-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzamide
CID 46681458
N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438477
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639153
[2-(4-methylanilino)-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 2612202
4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 19172685
1-methyl-2-nitro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 84590418

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-methyl-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 112828317) is 2-(3-methyl-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methyl-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-methyl-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide is Cc1cccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-methyl-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GKFHHDKUMAYTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O4/c1-10-3-2-4-13(15(10)21(23)24)25-9-14(22)20-12-7-5-11(6-8-12)16(17,18)19/h2-8H,9H2,1H3,(H,20,22).
What are the key properties of 2-(3-methyl-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(3-methyl-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 354.28 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 112828317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).