N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide

C15H10ClF4NO2 — CID 30473788

IUPACN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C15H10ClF4NO2/c16-10-3-6-13(23-8-15(18,19)20)12(7-10)21-14(22)9-1-4-11(17)5-2-9/h1-7H,8H2,(H,21,22)
InChIKeyWPUHARDOHMIGOT-UHFFFAOYSA-N
MW347.70 g/mol
LogP4.67
Rot. Bonds4

About N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide (PubChem CID 30473788) has the molecular formula C15H10ClF4NO2 and a molecular weight of 347.70 g/mol. Its IUPAC name is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
PubChem CID30473788
Molecular FormulaC15H10ClF4NO2
Molecular Weight347.70 g/mol
Exact Mass347.03
IUPAC NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C15H10ClF4NO2/c16-10-3-6-13(23-8-15(18,19)20)12(7-10)21-14(22)9-1-4-11(17)5-2-9/h1-7H,8H2,(H,21,22)
InChIKeyWPUHARDOHMIGOT-UHFFFAOYSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.70
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide
CID 55520956
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide
CID 134027237
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 30473938
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
CID 37175499
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 134027334
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
CID 1247533
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 37175902
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide
CID 30473926
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]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55699288
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide
CID 134027238

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide (CID 30473788) is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide is O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide?
The InChIKey is WPUHARDOHMIGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF4NO2/c16-10-3-6-13(23-8-15(18,19)20)12(7-10)21-14(22)9-1-4-11(17)5-2-9/h1-7H,8H2,(H,21,22).
What are the key properties of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide?
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide has a molecular weight of 347.70 g/mol, XLogP of 4.67, 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]-4-fluorobenzamide is sourced from PubChem (CID 30473788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).