N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide

C16H10F7NO2 — CID 146150657

IUPACN-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(NCc1cc(F)ccc1OC(F)F)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C16H10F7NO2/c17-10-2-4-13(26-15(19)20)8(5-10)7-24-14(25)11-6-9(16(21,22)23)1-3-12(11)18/h1-6,15H,7H2,(H,24,25)
InChIKeyVTJAHGSNAQOEND-UHFFFAOYSA-N
MW381.25 g/mol
LogP4.51
Rot. Bonds5

About N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide

N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 146150657) has the molecular formula C16H10F7NO2 and a molecular weight of 381.25 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide
PubChem CID146150657
Molecular FormulaC16H10F7NO2
Molecular Weight381.25 g/mol
Exact Mass381.06
IUPAC NameN-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(NCc1cc(F)ccc1OC(F)F)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C16H10F7NO2/c17-10-2-4-13(26-15(19)20)8(5-10)7-24-14(25)11-6-9(16(21,22)23)1-3-12(11)18/h1-6,15H,7H2,(H,24,25)
InChIKeyVTJAHGSNAQOEND-UHFFFAOYSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide
CID 103528324
N-[2-(2-chloroethoxy)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 114297513
1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
CID 118813115
N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 81482573
N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107030046
N-(4-chloro-2-methylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 114306055
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
N-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide
CID 112551178
2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113248488
2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide
CID 103528233
2-fluoro-N-[[5-(3-formyl-4-methoxyphenyl)-2-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide
CID 89092678
N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide
CID 71822129

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide (CID 146150657) is N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide is O=C(NCc1cc(F)ccc1OC(F)F)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is VTJAHGSNAQOEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F7NO2/c17-10-2-4-13(26-15(19)20)8(5-10)7-24-14(25)11-6-9(16(21,22)23)1-3-12(11)18/h1-6,15H,7H2,(H,24,25).
What are the key properties of N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide?
N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 381.25 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 146150657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).