N-(2,6-difluoro-3-hydroxyphenyl)-5-(3-fluorophenyl)-2,3-dimethylbenzamide

C21H16F3NO2 — CID 89443837

IUPACN-(2,6-difluoro-3-hydroxyphenyl)-5-(3-fluorophenyl)-2,3-dimethylbenzamide
SMILESCc1cc(-c2cccc(F)c2)cc(C(=O)Nc2c(F)ccc(O)c2F)c1C
InChIInChI=1S/C21H16F3NO2/c1-11-8-14(13-4-3-5-15(22)9-13)10-16(12(11)2)21(27)25-20-17(23)6-7-18(26)19(20)24/h3-10,26H,1-2H3,(H,25,27)
InChIKeyCRRHBUOTPPXVMU-UHFFFAOYSA-N
MW371.36 g/mol
LogP5.35
Rot. Bonds3

About N-(2,6-difluoro-3-hydroxyphenyl)-5-(3-fluorophenyl)-2,3-dimethylbenzamide

N-(2,6-difluoro-3-hydroxyphenyl)-5-(3-fluorophenyl)-2,3-dimethylbenzamide (PubChem CID 89443837) has the molecular formula C21H16F3NO2 and a molecular weight of 371.36 g/mol. Its IUPAC name is N-(2,6-difluoro-3-hydroxyphenyl)-5-(3-fluorophenyl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-hydroxyphenyl)-5-(3-fluorophenyl)-2,3-dimethylbenzamide
PubChem CID89443837
Molecular FormulaC21H16F3NO2
Molecular Weight371.36 g/mol
Exact Mass371.11
IUPAC NameN-(2,6-difluoro-3-hydroxyphenyl)-5-(3-fluorophenyl)-2,3-dimethylbenzamide
SMILESCc1cc(-c2cccc(F)c2)cc(C(=O)Nc2c(F)ccc(O)c2F)c1C
InChIInChI=1S/C21H16F3NO2/c1-11-8-14(13-4-3-5-15(22)9-13)10-16(12(11)2)21(27)25-20-17(23)6-7-18(26)19(20)24/h3-10,26H,1-2H3,(H,25,27)
InChIKeyCRRHBUOTPPXVMU-UHFFFAOYSA-N
XLogP5.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluoro-3-hydroxyphenyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzamide
CID 89443818
2-(6-fluoro-3-hydroxy-2-methylphenyl)-1-[5-(3-fluorophenyl)-2,3-dimethylphenyl]ethanone
CID 148569513
N-(2,6-difluoro-3-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 82829913
N-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide
CID 107723516
2-(2,6-difluoro-3-hydroxyphenyl)-1-[5-(3-fluorophenyl)-2-methylphenyl]ethanone
CID 157242548
5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide
CID 89443501
5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-hydroxybenzamide
CID 107729819
2,4-difluoro-3-[1-[2-fluoro-5-(3-fluorophenyl)phenyl]ethylamino]phenol
CID 89467105
2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909354
4-fluoro-3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]-2,5-dimethylphenol
CID 89445129
N-(2,6-difluorophenyl)-4-fluoro-2-hydroxybenzamide
CID 103888059
2,4-difluoro-3-[3-fluoro-5-(3-fluorophenyl)-N,2-dimethylanilino]phenol
CID 89443787

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-hydroxyphenyl)-5-(3-fluorophenyl)-2,3-dimethylbenzamide?
The IUPAC name of N-(2,6-difluoro-3-hydroxyphenyl)-5-(3-fluorophenyl)-2,3-dimethylbenzamide (CID 89443837) is N-(2,6-difluoro-3-hydroxyphenyl)-5-(3-fluorophenyl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(2,6-difluoro-3-hydroxyphenyl)-5-(3-fluorophenyl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(2,6-difluoro-3-hydroxyphenyl)-5-(3-fluorophenyl)-2,3-dimethylbenzamide is Cc1cc(-c2cccc(F)c2)cc(C(=O)Nc2c(F)ccc(O)c2F)c1C.
What is the InChIKey of N-(2,6-difluoro-3-hydroxyphenyl)-5-(3-fluorophenyl)-2,3-dimethylbenzamide?
The InChIKey is CRRHBUOTPPXVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO2/c1-11-8-14(13-4-3-5-15(22)9-13)10-16(12(11)2)21(27)25-20-17(23)6-7-18(26)19(20)24/h3-10,26H,1-2H3,(H,25,27).
What are the key properties of N-(2,6-difluoro-3-hydroxyphenyl)-5-(3-fluorophenyl)-2,3-dimethylbenzamide?
N-(2,6-difluoro-3-hydroxyphenyl)-5-(3-fluorophenyl)-2,3-dimethylbenzamide has a molecular weight of 371.36 g/mol, XLogP of 5.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-hydroxyphenyl)-5-(3-fluorophenyl)-2,3-dimethylbenzamide is sourced from PubChem (CID 89443837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).