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

C20H13F4NO2 — CID 89443818

IUPACN-(2,6-difluoro-3-hydroxyphenyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzamide
SMILESCc1cc(-c2cccc(F)c2)cc(C(=O)Nc2c(F)ccc(O)c2F)c1F
InChIInChI=1S/C20H13F4NO2/c1-10-7-12(11-3-2-4-13(21)8-11)9-14(17(10)23)20(27)25-19-15(22)5-6-16(26)18(19)24/h2-9,26H,1H3,(H,25,27)
InChIKeyWVGBIDGSKXWPTN-UHFFFAOYSA-N
MW375.32 g/mol
LogP5.18
Rot. Bonds3

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

N-(2,6-difluoro-3-hydroxyphenyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzamide (PubChem CID 89443818) has the molecular formula C20H13F4NO2 and a molecular weight of 375.32 g/mol. Its IUPAC name is N-(2,6-difluoro-3-hydroxyphenyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-hydroxyphenyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzamide
PubChem CID89443818
Molecular FormulaC20H13F4NO2
Molecular Weight375.32 g/mol
Exact Mass375.09
IUPAC NameN-(2,6-difluoro-3-hydroxyphenyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzamide
SMILESCc1cc(-c2cccc(F)c2)cc(C(=O)Nc2c(F)ccc(O)c2F)c1F
InChIInChI=1S/C20H13F4NO2/c1-10-7-12(11-3-2-4-13(21)8-11)9-14(17(10)23)20(27)25-19-15(22)5-6-16(26)18(19)24/h2-9,26H,1H3,(H,25,27)
InChIKeyWVGBIDGSKXWPTN-UHFFFAOYSA-N
XLogP5.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.32
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluoro-3-hydroxyphenyl)-5-(3-fluorophenyl)-2,3-dimethylbenzamide
CID 89443837
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-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909354
N-(2,6-difluorophenyl)-4-fluoro-2-hydroxybenzamide
CID 103888059
N'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide
CID 134581165
2-amino-N-(2-chloro-6-methylphenyl)-5-(3-fluorophenyl)pyridine-3-carboxamide
CID 155552021
2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide
CID 82818263

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-hydroxyphenyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzamide?
The IUPAC name of N-(2,6-difluoro-3-hydroxyphenyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzamide (CID 89443818) is N-(2,6-difluoro-3-hydroxyphenyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzamide.
What is the SMILES notation for N-(2,6-difluoro-3-hydroxyphenyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzamide?
The canonical SMILES for N-(2,6-difluoro-3-hydroxyphenyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzamide is Cc1cc(-c2cccc(F)c2)cc(C(=O)Nc2c(F)ccc(O)c2F)c1F.
What is the InChIKey of N-(2,6-difluoro-3-hydroxyphenyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzamide?
The InChIKey is WVGBIDGSKXWPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4NO2/c1-10-7-12(11-3-2-4-13(21)8-11)9-14(17(10)23)20(27)25-19-15(22)5-6-16(26)18(19)24/h2-9,26H,1H3,(H,25,27).
What are the key properties of N-(2,6-difluoro-3-hydroxyphenyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzamide?
N-(2,6-difluoro-3-hydroxyphenyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzamide has a molecular weight of 375.32 g/mol, XLogP of 5.18, 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)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzamide is sourced from PubChem (CID 89443818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).