3-chloro-4-ethoxy-N-[2-(trifluoromethyl)phenyl]benzamide

C16H13ClF3NO2 — CID 738328

IUPAC3-chloro-4-ethoxy-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C16H13ClF3NO2/c1-2-23-14-8-7-10(9-12(14)17)15(22)21-13-6-4-3-5-11(13)16(18,19)20/h3-9H,2H2,1H3,(H,21,22)
InChIKeyOEGFKFNVKRPZDT-UHFFFAOYSA-N
MW343.73 g/mol
LogP5.01
Rot. Bonds4

About 3-chloro-4-ethoxy-N-[2-(trifluoromethyl)phenyl]benzamide

3-chloro-4-ethoxy-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 738328) has the molecular formula C16H13ClF3NO2 and a molecular weight of 343.73 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID738328
Molecular FormulaC16H13ClF3NO2
Molecular Weight343.73 g/mol
Exact Mass343.06
IUPAC Name3-chloro-4-ethoxy-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C16H13ClF3NO2/c1-2-23-14-8-7-10(9-12(14)17)15(22)21-13-6-4-3-5-11(13)16(18,19)20/h3-9H,2H2,1H3,(H,21,22)
InChIKeyOEGFKFNVKRPZDT-UHFFFAOYSA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.73
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-[2-(trifluoromethyl)phenyl]benzamide (CID 738328) is 3-chloro-4-ethoxy-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-[2-(trifluoromethyl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is OEGFKFNVKRPZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO2/c1-2-23-14-8-7-10(9-12(14)17)15(22)21-13-6-4-3-5-11(13)16(18,19)20/h3-9H,2H2,1H3,(H,21,22).
What are the key properties of 3-chloro-4-ethoxy-N-[2-(trifluoromethyl)phenyl]benzamide?
3-chloro-4-ethoxy-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 343.73 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 738328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).