N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

C16H13F3N2O4 — CID 9393928

IUPACN-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1c(NC(=O)COc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H13F3N2O4/c1-10-13(6-3-7-14(10)21(23)24)20-15(22)9-25-12-5-2-4-11(8-12)16(17,18)19/h2-8H,9H2,1H3,(H,20,22)
InChIKeyQXPXBBOQBGOBPD-UHFFFAOYSA-N
MW354.28 g/mol
LogP3.94
Rot. Bonds5

About N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 9393928) has the molecular formula C16H13F3N2O4 and a molecular weight of 354.28 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID9393928
Molecular FormulaC16H13F3N2O4
Molecular Weight354.28 g/mol
Exact Mass354.08
IUPAC NameN-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1c(NC(=O)COc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H13F3N2O4/c1-10-13(6-3-7-14(10)21(23)24)20-15(22)9-25-12-5-2-4-11(8-12)16(17,18)19/h2-8H,9H2,1H3,(H,20,22)
InChIKeyQXPXBBOQBGOBPD-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-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2991740
N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632166
[2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853890
2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide
CID 4531468
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853946
4-[2-(2-methyl-3-nitroanilino)-2-oxoethoxy]benzamide
CID 31732776
N-(2-methyl-3-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 18190903
N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 7980515
N-tert-butyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 100758130
2-(4-bromo-2-tert-butylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
CID 17051590
2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7865146
N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119439280

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 9393928) is N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is Cc1c(NC(=O)COc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is QXPXBBOQBGOBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O4/c1-10-13(6-3-7-14(10)21(23)24)20-15(22)9-25-12-5-2-4-11(8-12)16(17,18)19/h2-8H,9H2,1H3,(H,20,22).
What are the key properties of N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]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 N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 9393928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).