N-(2-chloro-4-cyanophenyl)-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide

C21H14ClFN2O2 — CID 167080575

IUPACN-(2-chloro-4-cyanophenyl)-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide
SMILESCc1ccc(-c2ccc(O)c(C(=O)Nc3ccc(C#N)cc3Cl)c2)c(F)c1
InChIInChI=1S/C21H14ClFN2O2/c1-12-2-5-15(18(23)8-12)14-4-7-20(26)16(10-14)21(27)25-19-6-3-13(11-24)9-17(19)22/h2-10,26H,1H3,(H,25,27)
InChIKeyYYPHRRCSLQGTCN-UHFFFAOYSA-N
MW380.81 g/mol
LogP5.28
Rot. Bonds3

About N-(2-chloro-4-cyanophenyl)-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide

N-(2-chloro-4-cyanophenyl)-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide (PubChem CID 167080575) has the molecular formula C21H14ClFN2O2 and a molecular weight of 380.81 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide
PubChem CID167080575
Molecular FormulaC21H14ClFN2O2
Molecular Weight380.81 g/mol
Exact Mass380.07
IUPAC NameN-(2-chloro-4-cyanophenyl)-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide
SMILESCc1ccc(-c2ccc(O)c(C(=O)Nc3ccc(C#N)cc3Cl)c2)c(F)c1
InChIInChI=1S/C21H14ClFN2O2/c1-12-2-5-15(18(23)8-12)14-4-7-20(26)16(10-14)21(27)25-19-6-3-13(11-24)9-17(19)22/h2-10,26H,1H3,(H,25,27)
InChIKeyYYPHRRCSLQGTCN-UHFFFAOYSA-N
XLogP5.28
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.81
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-N-(2-chloro-4-cyanophenyl)-2-hydroxybenzamide
CID 86273414
N-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 71812072
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
N-(2-chloro-4-cyanophenyl)-3-(2,4-difluorophenyl)benzamide
CID 174160226
N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 164621224
N-(2-chloro-4-cyanophenyl)-2-fluoro-3-methylbenzamide
CID 103811028
5-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811217
N-(4-cyanophenyl)-2-hydroxy-5-methylbenzamide
CID 5274068
N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 103799806
3-chloro-4-(2-fluoro-4-methylanilino)benzonitrile
CID 63512256
3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 107143579
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
CID 115532718

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide (CID 167080575) is N-(2-chloro-4-cyanophenyl)-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide is Cc1ccc(-c2ccc(O)c(C(=O)Nc3ccc(C#N)cc3Cl)c2)c(F)c1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide?
The InChIKey is YYPHRRCSLQGTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O2/c1-12-2-5-15(18(23)8-12)14-4-7-20(26)16(10-14)21(27)25-19-6-3-13(11-24)9-17(19)22/h2-10,26H,1H3,(H,25,27).
What are the key properties of N-(2-chloro-4-cyanophenyl)-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide?
N-(2-chloro-4-cyanophenyl)-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide has a molecular weight of 380.81 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide is sourced from PubChem (CID 167080575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).