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

C16H13F3N2O4 — CID 1406683

IUPAC2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O4/c1-10-7-13(21(23)24)5-6-14(10)25-9-15(22)20-12-4-2-3-11(8-12)16(17,18)19/h2-8H,9H2,1H3,(H,20,22)
InChIKeyBLFVVVQJNURFPX-UHFFFAOYSA-N
MW354.28 g/mol
LogP3.94
Rot. Bonds5

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

2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1406683) has the molecular formula C16H13F3N2O4 and a molecular weight of 354.28 g/mol. Its IUPAC name is 2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID1406683
Molecular FormulaC16H13F3N2O4
Molecular Weight354.28 g/mol
Exact Mass354.08
IUPAC Name2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O4/c1-10-7-13(21(23)24)5-6-14(10)25-9-15(22)20-12-4-2-3-11(8-12)16(17,18)19/h2-8H,9H2,1H3,(H,20,22)
InChIKeyBLFVVVQJNURFPX-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

3-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]benzoic acid
CID 53264010
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639153
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(4-nitrophenoxy)acetate
CID 7770386
methyl 4-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]benzoate
CID 1406620
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406605
N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406582
3-[[2-(2-nitrophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167854
N-(2-methylphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 47073931
2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide
CID 46484655
2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17197570

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 1406683) is 2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BLFVVVQJNURFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O4/c1-10-7-13(21(23)24)5-6-14(10)25-9-15(22)20-12-4-2-3-11(8-12)16(17,18)19/h2-8H,9H2,1H3,(H,20,22).
What are the key properties of 2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(2-methyl-4-nitrophenoxy)-N-[3-(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-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1406683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).