3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzamide

C15H11ClF3NO2 — CID 155145911

IUPAC3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzamide
SMILESNC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C15H11ClF3NO2/c16-12-7-11(15(17,18)19)4-5-13(12)22-8-9-2-1-3-10(6-9)14(20)21/h1-7H,8H2,(H2,20,21)
InChIKeyCWLOEKPMDOHCPT-UHFFFAOYSA-N
MW329.71 g/mol
LogP4.04
Rot. Bonds4

About 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzamide

3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzamide (PubChem CID 155145911) has the molecular formula C15H11ClF3NO2 and a molecular weight of 329.71 g/mol. Its IUPAC name is 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzamide.

Molecular Properties

Compound Name3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzamide
PubChem CID155145911
Molecular FormulaC15H11ClF3NO2
Molecular Weight329.71 g/mol
Exact Mass329.04
IUPAC Name3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzamide
SMILESNC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C15H11ClF3NO2/c16-12-7-11(15(17,18)19)4-5-13(12)22-8-9-2-1-3-10(6-9)14(20)21/h1-7H,8H2,(H2,20,21)
InChIKeyCWLOEKPMDOHCPT-UHFFFAOYSA-N
XLogP4.04
TPSA52.32 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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzamide?
The IUPAC name of 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzamide (CID 155145911) is 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzamide.
What is the SMILES notation for 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzamide?
The canonical SMILES for 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzamide is NC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzamide?
The InChIKey is CWLOEKPMDOHCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO2/c16-12-7-11(15(17,18)19)4-5-13(12)22-8-9-2-1-3-10(6-9)14(20)21/h1-7H,8H2,(H2,20,21).
What are the key properties of 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzamide?
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzamide has a molecular weight of 329.71 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzamide is sourced from PubChem (CID 155145911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).