2-(2-chlorophenoxy)-N-[(E)-[3-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]acetamide

C16H11ClF4N2O2 — CID 45109412

IUPAC2-(2-chlorophenoxy)-N-[(E)-[3-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESO=C(COc1ccccc1Cl)N/N=C/c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF4N2O2/c17-13-3-1-2-4-14(13)25-9-15(24)23-22-8-10-5-11(16(19,20)21)7-12(18)6-10/h1-8H,9H2,(H,23,24)/b22-8+
InChIKeyIYYVMMCNPNGFOF-GZIVZEMBSA-N
MW374.72 g/mol
LogP4.03
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-[(E)-[3-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]acetamide

2-(2-chlorophenoxy)-N-[(E)-[3-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]acetamide (PubChem CID 45109412) has the molecular formula C16H11ClF4N2O2 and a molecular weight of 374.72 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(E)-[3-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(E)-[3-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]acetamide
PubChem CID45109412
Molecular FormulaC16H11ClF4N2O2
Molecular Weight374.72 g/mol
Exact Mass374.04
IUPAC Name2-(2-chlorophenoxy)-N-[(E)-[3-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]acetamide
SMILESO=C(COc1ccccc1Cl)N/N=C/c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF4N2O2/c17-13-3-1-2-4-14(13)25-9-15(24)23-22-8-10-5-11(16(19,20)21)7-12(18)6-10/h1-8H,9H2,(H,23,24)/b22-8+
InChIKeyIYYVMMCNPNGFOF-GZIVZEMBSA-N
XLogP4.03
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.72
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 2-(2-chlorophenoxy)-N-[(E)-[3-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(E)-[3-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]acetamide (CID 45109412) is 2-(2-chlorophenoxy)-N-[(E)-[3-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(E)-[3-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(E)-[3-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]acetamide is O=C(COc1ccccc1Cl)N/N=C/c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(E)-[3-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]acetamide?
The InChIKey is IYYVMMCNPNGFOF-GZIVZEMBSA-N. The full InChI is InChI=1S/C16H11ClF4N2O2/c17-13-3-1-2-4-14(13)25-9-15(24)23-22-8-10-5-11(16(19,20)21)7-12(18)6-10/h1-8H,9H2,(H,23,24)/b22-8+.
What are the key properties of 2-(2-chlorophenoxy)-N-[(E)-[3-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]acetamide?
2-(2-chlorophenoxy)-N-[(E)-[3-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]acetamide has a molecular weight of 374.72 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(E)-[3-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 45109412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).