N-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide

C20H12F2N2O2 — CID 71812072

IUPACN-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
SMILESN#Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3F)ccc2O)cc1
InChIInChI=1S/C20H12F2N2O2/c21-14-4-7-16(18(22)10-14)13-3-8-19(25)17(9-13)20(26)24-15-5-1-12(11-23)2-6-15/h1-10,25H,(H,24,26)
InChIKeyKJFKKEXPIRFERJ-UHFFFAOYSA-N
MW350.32 g/mol
LogP4.46
Rot. Bonds3

About N-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide

N-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide (PubChem CID 71812072) has the molecular formula C20H12F2N2O2 and a molecular weight of 350.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
PubChem CID71812072
Molecular FormulaC20H12F2N2O2
Molecular Weight350.32 g/mol
Exact Mass350.09
IUPAC NameN-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
SMILESN#Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3F)ccc2O)cc1
InChIInChI=1S/C20H12F2N2O2/c21-14-4-7-16(18(22)10-14)13-3-8-19(25)17(9-13)20(26)24-15-5-1-12(11-23)2-6-15/h1-10,25H,(H,24,26)
InChIKeyKJFKKEXPIRFERJ-UHFFFAOYSA-N
XLogP4.46
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 175663537
5-(2,4-difluorophenyl)-N-(3-ethynylphenyl)-2-hydroxybenzamide
CID 71812059
1-[[5-(2,4-difluorophenyl)-2-hydroxybenzoyl]amino]-3-(4-methylphenyl)thiourea
CID 11596775
N-(4-cyanophenyl)-2-hydroxy-5-methylbenzamide
CID 5274068
N-(2-chloro-4-cyanophenyl)-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide
CID 167080575
N-(3,4-dicyanophenyl)-5-fluoro-2-hydroxybenzamide
CID 103944404
N-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298380
1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one
CID 58554662
N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 164621224
5-(2,4-difluorophenyl)-2-hydroxybenzoic acid;5-(2,4-difluorophenyl)-2-hydroxybenzoyl chloride;5-(2,4-difluorophenyl)-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157295394
[2-[(4-chlorophenyl)carbamoyl]-4-(2,4-difluorophenyl)phenyl] 4-chlorobenzoate
CID 66547484
4-(2,4-difluorophenyl)-2-hydroxybenzonitrile
CID 53219935

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide?
The IUPAC name of N-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide (CID 71812072) is N-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide?
The canonical SMILES for N-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide is N#Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3F)ccc2O)cc1.
What is the InChIKey of N-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide?
The InChIKey is KJFKKEXPIRFERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O2/c21-14-4-7-16(18(22)10-14)13-3-8-19(25)17(9-13)20(26)24-15-5-1-12(11-23)2-6-15/h1-10,25H,(H,24,26).
What are the key properties of N-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide?
N-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide has a molecular weight of 350.32 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide is sourced from PubChem (CID 71812072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).