5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-methylbenzamide

C15H10ClF4NO2 — CID 162547466

IUPAC5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-methylbenzamide
SMILESCc1ccc(Oc2c(F)cc(C(F)(F)F)cc2Cl)cc1C(N)=O
InChIInChI=1S/C15H10ClF4NO2/c1-7-2-3-9(6-10(7)14(21)22)23-13-11(16)4-8(5-12(13)17)15(18,19)20/h2-6H,1H3,(H2,21,22)
InChIKeySOXCAZALOLZTRB-UHFFFAOYSA-N
MW347.70 g/mol
LogP4.70
Rot. Bonds3

About 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-methylbenzamide

5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-methylbenzamide (PubChem CID 162547466) has the molecular formula C15H10ClF4NO2 and a molecular weight of 347.70 g/mol. Its IUPAC name is 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-methylbenzamide.

Molecular Properties

Compound Name5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-methylbenzamide
PubChem CID162547466
Molecular FormulaC15H10ClF4NO2
Molecular Weight347.70 g/mol
Exact Mass347.03
IUPAC Name5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-methylbenzamide
SMILESCc1ccc(Oc2c(F)cc(C(F)(F)F)cc2Cl)cc1C(N)=O
InChIInChI=1S/C15H10ClF4NO2/c1-7-2-3-9(6-10(7)14(21)22)23-13-11(16)4-8(5-12(13)17)15(18,19)20/h2-6H,1H3,(H2,21,22)
InChIKeySOXCAZALOLZTRB-UHFFFAOYSA-N
XLogP4.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.70
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 59402956
CID 59402956
CID 847701
CID 847701
CID 27186897
CID 27186897
CID 71626757
CID 71626757
CID 72545673
CID 72545673
CID 72948339
CID 72948339
CID 72949614
CID 72949614
CID 72949616
CID 72949616
CID 90021133
CID 90021133
CID 155145911
CID 155145911
CID 166630204
CID 166630204
CID 166632438
CID 166632438

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-methylbenzamide?
The IUPAC name of 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-methylbenzamide (CID 162547466) is 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-methylbenzamide.
What is the SMILES notation for 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-methylbenzamide?
The canonical SMILES for 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-methylbenzamide is Cc1ccc(Oc2c(F)cc(C(F)(F)F)cc2Cl)cc1C(N)=O.
What is the InChIKey of 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-methylbenzamide?
The InChIKey is SOXCAZALOLZTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF4NO2/c1-7-2-3-9(6-10(7)14(21)22)23-13-11(16)4-8(5-12(13)17)15(18,19)20/h2-6H,1H3,(H2,21,22).
What are the key properties of 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-methylbenzamide?
5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-methylbenzamide has a molecular weight of 347.70 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-methylbenzamide is sourced from PubChem (CID 162547466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).