N-[(4-chlorophenyl)methoxy]-2-(trifluoromethyl)benzamide

C15H11ClF3NO2 — CID 87719429

IUPACN-[(4-chlorophenyl)methoxy]-2-(trifluoromethyl)benzamide
SMILESO=C(NOCc1ccc(Cl)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11ClF3NO2/c16-11-7-5-10(6-8-11)9-22-20-14(21)12-3-1-2-4-13(12)15(17,18)19/h1-8H,9H2,(H,20,21)
InChIKeyBLIXLPXAWXTZIC-UHFFFAOYSA-N
MW329.71 g/mol
LogP4.22
Rot. Bonds4

About N-[(4-chlorophenyl)methoxy]-2-(trifluoromethyl)benzamide

N-[(4-chlorophenyl)methoxy]-2-(trifluoromethyl)benzamide (PubChem CID 87719429) has the molecular formula C15H11ClF3NO2 and a molecular weight of 329.71 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methoxy]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methoxy]-2-(trifluoromethyl)benzamide
PubChem CID87719429
Molecular FormulaC15H11ClF3NO2
Molecular Weight329.71 g/mol
Exact Mass329.04
IUPAC NameN-[(4-chlorophenyl)methoxy]-2-(trifluoromethyl)benzamide
SMILESO=C(NOCc1ccc(Cl)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11ClF3NO2/c16-11-7-5-10(6-8-11)9-22-20-14(21)12-3-1-2-4-13(12)15(17,18)19/h1-8H,9H2,(H,20,21)
InChIKeyBLIXLPXAWXTZIC-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methoxy]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methoxy]-2-(trifluoromethyl)benzamide (CID 87719429) is N-[(4-chlorophenyl)methoxy]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methoxy]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methoxy]-2-(trifluoromethyl)benzamide is O=C(NOCc1ccc(Cl)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(4-chlorophenyl)methoxy]-2-(trifluoromethyl)benzamide?
The InChIKey is BLIXLPXAWXTZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO2/c16-11-7-5-10(6-8-11)9-22-20-14(21)12-3-1-2-4-13(12)15(17,18)19/h1-8H,9H2,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methoxy]-2-(trifluoromethyl)benzamide?
N-[(4-chlorophenyl)methoxy]-2-(trifluoromethyl)benzamide has a molecular weight of 329.71 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methoxy]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 87719429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).