5-amino-2-ethoxy-N-[3-(trifluoromethyl)phenyl]benzamide

C16H15F3N2O2 — CID 52913206

IUPAC5-amino-2-ethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1ccc(N)cc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O2/c1-2-23-14-7-6-11(20)9-13(14)15(22)21-12-5-3-4-10(8-12)16(17,18)19/h3-9H,2,20H2,1H3,(H,21,22)
InChIKeyMUYYZQVSUWCEQX-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.94
Rot. Bonds4

About 5-amino-2-ethoxy-N-[3-(trifluoromethyl)phenyl]benzamide

5-amino-2-ethoxy-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 52913206) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 5-amino-2-ethoxy-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-amino-2-ethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID52913206
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name5-amino-2-ethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1ccc(N)cc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O2/c1-2-23-14-7-6-11(20)9-13(14)15(22)21-12-5-3-4-10(8-12)16(17,18)19/h3-9H,2,20H2,1H3,(H,21,22)
InChIKeyMUYYZQVSUWCEQX-UHFFFAOYSA-N
XLogP3.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-amino-2-ethoxy-N-[3-(trifluoromethyl)phenyl]benzamide (CID 52913206) is 5-amino-2-ethoxy-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-amino-2-ethoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-amino-2-ethoxy-N-[3-(trifluoromethyl)phenyl]benzamide is CCOc1ccc(N)cc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-amino-2-ethoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is MUYYZQVSUWCEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-2-23-14-7-6-11(20)9-13(14)15(22)21-12-5-3-4-10(8-12)16(17,18)19/h3-9H,2,20H2,1H3,(H,21,22).
What are the key properties of 5-amino-2-ethoxy-N-[3-(trifluoromethyl)phenyl]benzamide?
5-amino-2-ethoxy-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 324.30 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethoxy-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 52913206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).