N-[4-[cyano-(4-methylphenyl)methyl]phenyl]-2,6-dihydroxybenzamide

C22H18N2O3 — CID 21483159

IUPACN-[4-[cyano-(4-methylphenyl)methyl]phenyl]-2,6-dihydroxybenzamide
SMILESCc1ccc(C(C#N)c2ccc(NC(=O)c3c(O)cccc3O)cc2)cc1
InChIInChI=1S/C22H18N2O3/c1-14-5-7-15(8-6-14)18(13-23)16-9-11-17(12-10-16)24-22(27)21-19(25)3-2-4-20(21)26/h2-12,18,25-26H,1H3,(H,24,27)
InChIKeyIHEWMDJLNRGFGC-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.31
Rot. Bonds4

About N-[4-[cyano-(4-methylphenyl)methyl]phenyl]-2,6-dihydroxybenzamide

N-[4-[cyano-(4-methylphenyl)methyl]phenyl]-2,6-dihydroxybenzamide (PubChem CID 21483159) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[4-[cyano-(4-methylphenyl)methyl]phenyl]-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-[4-[cyano-(4-methylphenyl)methyl]phenyl]-2,6-dihydroxybenzamide
PubChem CID21483159
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-[4-[cyano-(4-methylphenyl)methyl]phenyl]-2,6-dihydroxybenzamide
SMILESCc1ccc(C(C#N)c2ccc(NC(=O)c3c(O)cccc3O)cc2)cc1
InChIInChI=1S/C22H18N2O3/c1-14-5-7-15(8-6-14)18(13-23)16-9-11-17(12-10-16)24-22(27)21-19(25)3-2-4-20(21)26/h2-12,18,25-26H,1H3,(H,24,27)
InChIKeyIHEWMDJLNRGFGC-UHFFFAOYSA-N
XLogP4.31
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[cyano(phenyl)methyl]phenyl]acetamide
CID 2832029
N-[4-[(4-chlorophenyl)-cyanomethyl]-3-(trifluoromethyl)phenyl]-2,6-dihydroxybenzamide
CID 21483197
N-[4-[cyano(phenyl)methyl]-3-(trifluoromethyl)phenyl]-2,6-dihydroxybenzamide
CID 21483192
2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide
CID 103890666
1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide
CID 146600216
N-[4-[cyano(phenyl)methyl]phenyl]-2-methylpropanamide
CID 42959795
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
2,6-dihydroxy-N-(3-methylphenyl)benzamide
CID 103748871
N-(4-aminophenyl)-2,6-dihydroxybenzamide
CID 107687533
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
2-cyano-N-methyl-2-(4-methylphenyl)acetamide
CID 130010975
N-(4-chlorophenyl)-2-hydroxy-6-methylbenzamide
CID 46215145

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyano-(4-methylphenyl)methyl]phenyl]-2,6-dihydroxybenzamide?
The IUPAC name of N-[4-[cyano-(4-methylphenyl)methyl]phenyl]-2,6-dihydroxybenzamide (CID 21483159) is N-[4-[cyano-(4-methylphenyl)methyl]phenyl]-2,6-dihydroxybenzamide.
What is the SMILES notation for N-[4-[cyano-(4-methylphenyl)methyl]phenyl]-2,6-dihydroxybenzamide?
The canonical SMILES for N-[4-[cyano-(4-methylphenyl)methyl]phenyl]-2,6-dihydroxybenzamide is Cc1ccc(C(C#N)c2ccc(NC(=O)c3c(O)cccc3O)cc2)cc1.
What is the InChIKey of N-[4-[cyano-(4-methylphenyl)methyl]phenyl]-2,6-dihydroxybenzamide?
The InChIKey is IHEWMDJLNRGFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-14-5-7-15(8-6-14)18(13-23)16-9-11-17(12-10-16)24-22(27)21-19(25)3-2-4-20(21)26/h2-12,18,25-26H,1H3,(H,24,27).
What are the key properties of N-[4-[cyano-(4-methylphenyl)methyl]phenyl]-2,6-dihydroxybenzamide?
N-[4-[cyano-(4-methylphenyl)methyl]phenyl]-2,6-dihydroxybenzamide has a molecular weight of 358.40 g/mol, XLogP of 4.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyano-(4-methylphenyl)methyl]phenyl]-2,6-dihydroxybenzamide is sourced from PubChem (CID 21483159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).