5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C17H15ClF3NO2 — CID 26594334

IUPAC5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15ClF3NO2/c1-24-15-7-6-13(18)10-14(15)16(23)22-9-8-11-2-4-12(5-3-11)17(19,20)21/h2-7,10H,8-9H2,1H3,(H,22,23)
InChIKeyCVLLNJCVKIUBNP-UHFFFAOYSA-N
MW357.76 g/mol
LogP4.34
Rot. Bonds5

About 5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 26594334) has the molecular formula C17H15ClF3NO2 and a molecular weight of 357.76 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID26594334
Molecular FormulaC17H15ClF3NO2
Molecular Weight357.76 g/mol
Exact Mass357.07
IUPAC Name5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15ClF3NO2/c1-24-15-7-6-13(18)10-14(15)16(23)22-9-8-11-2-4-12(5-3-11)17(19,20)21/h2-7,10H,8-9H2,1H3,(H,22,23)
InChIKeyCVLLNJCVKIUBNP-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 26594334) is 5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is COc1ccc(Cl)cc1C(=O)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is CVLLNJCVKIUBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO2/c1-24-15-7-6-13(18)10-14(15)16(23)22-9-8-11-2-4-12(5-3-11)17(19,20)21/h2-7,10H,8-9H2,1H3,(H,22,23).
What are the key properties of 5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 357.76 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 26594334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).