N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide

C16H11ClF5NO3 — CID 30473926

IUPACN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide
SMILESO=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccccc1OC(F)F
InChIInChI=1S/C16H11ClF5NO3/c17-9-5-6-13(25-8-16(20,21)22)11(7-9)23-14(24)10-3-1-2-4-12(10)26-15(18)19/h1-7,15H,8H2,(H,23,24)
InChIKeyOUWKNTKFDMHGNP-UHFFFAOYSA-N
MW395.71 g/mol
LogP5.13
Rot. Bonds6

About N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide (PubChem CID 30473926) has the molecular formula C16H11ClF5NO3 and a molecular weight of 395.71 g/mol. Its IUPAC name is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide
PubChem CID30473926
Molecular FormulaC16H11ClF5NO3
Molecular Weight395.71 g/mol
Exact Mass395.03
IUPAC NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide
SMILESO=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccccc1OC(F)F
InChIInChI=1S/C16H11ClF5NO3/c17-9-5-6-13(25-8-16(20,21)22)11(7-9)23-14(24)10-3-1-2-4-12(10)26-15(18)19/h1-7,15H,8H2,(H,23,24)
InChIKeyOUWKNTKFDMHGNP-UHFFFAOYSA-N
XLogP5.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.71
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,3-dimethoxybenzamide
CID 134027238
N-(2-bromo-5-chlorophenyl)-2-(difluoromethoxy)benzamide
CID 81260760
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
CID 30473788
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide
CID 134027237
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide
CID 55520956
N-[5-chloro-2-(trifluoromethyl)phenyl]-2-ethoxybenzamide
CID 836677
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
CID 37175499
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
2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134027239
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(difluoromethoxy)benzamide
CID 18084497
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55759004

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide?
The IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide (CID 30473926) is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide is O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccccc1OC(F)F.
What is the InChIKey of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide?
The InChIKey is OUWKNTKFDMHGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF5NO3/c17-9-5-6-13(25-8-16(20,21)22)11(7-9)23-14(24)10-3-1-2-4-12(10)26-15(18)19/h1-7,15H,8H2,(H,23,24).
What are the key properties of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide?
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide has a molecular weight of 395.71 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 30473926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).