N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methyl]-2-methoxybenzamide

C21H16F3NO2 — CID 46949187

IUPACN-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cc2ccc(F)cc2)cc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C21H16F3NO2/c1-27-20-9-4-14(10-13-2-5-15(22)6-3-13)11-17(20)21(26)25-16-7-8-18(23)19(24)12-16/h2-9,11-12H,10H2,1H3,(H,25,26)
InChIKeyHEICNTINEZMEAK-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.96
Rot. Bonds5

About N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methyl]-2-methoxybenzamide

N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methyl]-2-methoxybenzamide (PubChem CID 46949187) has the molecular formula C21H16F3NO2 and a molecular weight of 371.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methyl]-2-methoxybenzamide
PubChem CID46949187
Molecular FormulaC21H16F3NO2
Molecular Weight371.36 g/mol
Exact Mass371.11
IUPAC NameN-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cc2ccc(F)cc2)cc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C21H16F3NO2/c1-27-20-9-4-14(10-13-2-5-15(22)6-3-13)11-17(20)21(26)25-16-7-8-18(23)19(24)12-16/h2-9,11-12H,10H2,1H3,(H,25,26)
InChIKeyHEICNTINEZMEAK-UHFFFAOYSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 9210303
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 18229091
N-(4-acetamidophenyl)-5-fluoro-2-methoxybenzamide
CID 31063829
N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide
CID 115661440
4-fluoro-N-(3-fluoro-4-methoxyphenyl)-2-hydroxybenzamide
CID 103829787
2-amino-4-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 63109763
N-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide
CID 118677106
N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide
CID 33307531
2-methoxy-5-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106910011
N-(3-fluoro-4-methoxyphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696395
5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037269

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methyl]-2-methoxybenzamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methyl]-2-methoxybenzamide (CID 46949187) is N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methyl]-2-methoxybenzamide is COc1ccc(Cc2ccc(F)cc2)cc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methyl]-2-methoxybenzamide?
The InChIKey is HEICNTINEZMEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO2/c1-27-20-9-4-14(10-13-2-5-15(22)6-3-13)11-17(20)21(26)25-16-7-8-18(23)19(24)12-16/h2-9,11-12H,10H2,1H3,(H,25,26).
What are the key properties of N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methyl]-2-methoxybenzamide?
N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methyl]-2-methoxybenzamide has a molecular weight of 371.36 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 46949187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).