N-(2-ethoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide

C17H16F3N3O4 — CID 7551295

IUPACN-(2-ethoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide
SMILESCCOc1ccccc1NC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C17H16F3N3O4/c1-2-27-15-6-4-3-5-13(15)22-16(24)10-21-12-8-7-11(17(18,19)20)9-14(12)23(25)26/h3-9,21H,2,10H2,1H3,(H,22,24)
InChIKeyVYNHWFDYDWQJPL-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.06
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide

N-(2-ethoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide (PubChem CID 7551295) has the molecular formula C17H16F3N3O4 and a molecular weight of 383.33 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide
PubChem CID7551295
Molecular FormulaC17H16F3N3O4
Molecular Weight383.33 g/mol
Exact Mass383.11
IUPAC NameN-(2-ethoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide
SMILESCCOc1ccccc1NC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C17H16F3N3O4/c1-2-27-15-6-4-3-5-13(15)22-16(24)10-21-12-8-7-11(17(18,19)20)9-14(12)23(25)26/h3-9,21H,2,10H2,1H3,(H,22,24)
InChIKeyVYNHWFDYDWQJPL-UHFFFAOYSA-N
XLogP4.06
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide (CID 7551295) is N-(2-ethoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide is CCOc1ccccc1NC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-ethoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide?
The InChIKey is VYNHWFDYDWQJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O4/c1-2-27-15-6-4-3-5-13(15)22-16(24)10-21-12-8-7-11(17(18,19)20)9-14(12)23(25)26/h3-9,21H,2,10H2,1H3,(H,22,24).
What are the key properties of N-(2-ethoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide?
N-(2-ethoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide has a molecular weight of 383.33 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 7551295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).