N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide

C15H9ClF5NO2 — CID 134027237

IUPACN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1c(F)cccc1F
InChIInChI=1S/C15H9ClF5NO2/c16-8-4-5-12(24-7-15(19,20)21)11(6-8)22-14(23)13-9(17)2-1-3-10(13)18/h1-6H,7H2,(H,22,23)
InChIKeyQTLVGCYNXGPULD-UHFFFAOYSA-N
MW365.69 g/mol
LogP4.81
Rot. Bonds4

About N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide (PubChem CID 134027237) has the molecular formula C15H9ClF5NO2 and a molecular weight of 365.69 g/mol. Its IUPAC name is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide
PubChem CID134027237
Molecular FormulaC15H9ClF5NO2
Molecular Weight365.69 g/mol
Exact Mass365.02
IUPAC NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1c(F)cccc1F
InChIInChI=1S/C15H9ClF5NO2/c16-8-4-5-12(24-7-15(19,20)21)11(6-8)22-14(23)13-9(17)2-1-3-10(13)18/h1-6H,7H2,(H,22,23)
InChIKeyQTLVGCYNXGPULD-UHFFFAOYSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.69
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
CID 30473788
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide
CID 55520956
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide
CID 134027238
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
CID 37175499
(E)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-fluorophenyl)prop-2-enamide
CID 98674038
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide
CID 30473926
2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134027239
5-chloro-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 55521609
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 37176133
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methylphenyl)acetamide
CID 30473976
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55759004
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 30473938

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide (CID 134027237) is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide is O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1c(F)cccc1F.
What is the InChIKey of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide?
The InChIKey is QTLVGCYNXGPULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF5NO2/c16-8-4-5-12(24-7-15(19,20)21)11(6-8)22-14(23)13-9(17)2-1-3-10(13)18/h1-6H,7H2,(H,22,23).
What are the key properties of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide?
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide has a molecular weight of 365.69 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 N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 134027237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).