3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylbenzamide

C16H13ClF3NO2 — CID 57355706

IUPAC3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylbenzamide
SMILESCCc1c(Oc2ccc(C(F)(F)F)cc2Cl)cccc1C(N)=O
InChIInChI=1S/C16H13ClF3NO2/c1-2-10-11(15(21)22)4-3-5-13(10)23-14-7-6-9(8-12(14)17)16(18,19)20/h3-8H,2H2,1H3,(H2,21,22)
InChIKeyKLSUQHJMXFDQKI-UHFFFAOYSA-N
MW343.73 g/mol
LogP4.81
Rot. Bonds4

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

3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylbenzamide (PubChem CID 57355706) has the molecular formula C16H13ClF3NO2 and a molecular weight of 343.73 g/mol. Its IUPAC name is 3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylbenzamide.

Molecular Properties

Compound Name3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylbenzamide
PubChem CID57355706
Molecular FormulaC16H13ClF3NO2
Molecular Weight343.73 g/mol
Exact Mass343.06
IUPAC Name3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylbenzamide
SMILESCCc1c(Oc2ccc(C(F)(F)F)cc2Cl)cccc1C(N)=O
InChIInChI=1S/C16H13ClF3NO2/c1-2-10-11(15(21)22)4-3-5-13(10)23-14-7-6-9(8-12(14)17)16(18,19)20/h3-8H,2H2,1H3,(H2,21,22)
InChIKeyKLSUQHJMXFDQKI-UHFFFAOYSA-N
XLogP4.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-Chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide
CID 59402956
3-Chloro-5-ethoxy-4-phenylmethoxybenzamide
CID 847700
4-(Benzyloxy)-3-chloro-5-methoxybenzamide
CID 847701
3-[(3-Chlorobenzyl)oxy]benzamide
CID 27186897
5-chloro-2-fluoro-N-(methylsulfonyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzamide
CID 72545673
US10071957, Example 48
CID 72948339
3-[[2-Chloro-4-(trifluoromethyl)phenoxy]methyl]benzamide
CID 155145911
3-[3-(3-Chlorophenyl)propoxy]benzamide
CID 166630204
3-[2-(3-Chlorophenyl)ethoxy]benzamide
CID 166632438
US10071957, Example 52
CID 72948158
FtsZ-IN-4
CID 164887529
3-[[3-[4-Chloro-2-(trifluoromethyl)phenyl]phenyl]methoxy]-2,6-difluorobenzamide
CID 172457992

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylbenzamide?
The IUPAC name of 3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylbenzamide (CID 57355706) is 3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylbenzamide.
What is the SMILES notation for 3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylbenzamide?
The canonical SMILES for 3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylbenzamide is CCc1c(Oc2ccc(C(F)(F)F)cc2Cl)cccc1C(N)=O.
What is the InChIKey of 3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylbenzamide?
The InChIKey is KLSUQHJMXFDQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO2/c1-2-10-11(15(21)22)4-3-5-13(10)23-14-7-6-9(8-12(14)17)16(18,19)20/h3-8H,2H2,1H3,(H2,21,22).
What are the key properties of 3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylbenzamide?
3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethylbenzamide has a molecular weight of 343.73 g/mol, XLogP of 4.81, 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]-2-ethylbenzamide is sourced from PubChem (CID 57355706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).