N-(2-methylphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide

C16H13F3N2O4 — CID 47073931

IUPACN-(2-methylphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
SMILESCc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C16H13F3N2O4/c1-10-4-2-3-5-13(10)20-15(22)9-25-14-7-6-11(21(23)24)8-12(14)16(17,18)19/h2-8H,9H2,1H3,(H,20,22)
InChIKeyUTMXRSHQJGRWSA-UHFFFAOYSA-N
MW354.28 g/mol
LogP3.94
Rot. Bonds5

About N-(2-methylphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide

N-(2-methylphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide (PubChem CID 47073931) has the molecular formula C16H13F3N2O4 and a molecular weight of 354.28 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
PubChem CID47073931
Molecular FormulaC16H13F3N2O4
Molecular Weight354.28 g/mol
Exact Mass354.08
IUPAC NameN-(2-methylphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
SMILESCc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C16H13F3N2O4/c1-10-4-2-3-5-13(10)20-15(22)9-25-14-7-6-11(21(23)24)8-12(14)16(17,18)19/h2-8H,9H2,1H3,(H,20,22)
InChIKeyUTMXRSHQJGRWSA-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

N-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 47771816
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide
CID 7991213
N-(methylcarbamoyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 48923966
[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7838147
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7505655
N-[2-(trifluoromethyl)phenyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978103
N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406594
2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3477288
2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 7859185
2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1406683

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide (CID 47073931) is N-(2-methylphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide is Cc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F.
What is the InChIKey of N-(2-methylphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is UTMXRSHQJGRWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O4/c1-10-4-2-3-5-13(10)20-15(22)9-25-14-7-6-11(21(23)24)8-12(14)16(17,18)19/h2-8H,9H2,1H3,(H,20,22).
What are the key properties of N-(2-methylphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide?
N-(2-methylphenyl)-2-[4-nitro-2-(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-methylphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 47073931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).