4-cyano-N-(4-cyanophenyl)-N-[(4-hydroxyphenyl)methyl]benzamide

C22H15N3O2 — CID 23508526

IUPAC4-cyano-N-(4-cyanophenyl)-N-[(4-hydroxyphenyl)methyl]benzamide
SMILESN#Cc1ccc(C(=O)N(Cc2ccc(O)cc2)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H15N3O2/c23-13-16-1-7-19(8-2-16)22(27)25(15-18-5-11-21(26)12-6-18)20-9-3-17(14-24)4-10-20/h1-12,26H,15H2
InChIKeyYEIUPBJSXFJYEE-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.98
Rot. Bonds4

About 4-cyano-N-(4-cyanophenyl)-N-[(4-hydroxyphenyl)methyl]benzamide

4-cyano-N-(4-cyanophenyl)-N-[(4-hydroxyphenyl)methyl]benzamide (PubChem CID 23508526) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-cyano-N-(4-cyanophenyl)-N-[(4-hydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-(4-cyanophenyl)-N-[(4-hydroxyphenyl)methyl]benzamide
PubChem CID23508526
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC Name4-cyano-N-(4-cyanophenyl)-N-[(4-hydroxyphenyl)methyl]benzamide
SMILESN#Cc1ccc(C(=O)N(Cc2ccc(O)cc2)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H15N3O2/c23-13-16-1-7-19(8-2-16)22(27)25(15-18-5-11-21(26)12-6-18)20-9-3-17(14-24)4-10-20/h1-12,26H,15H2
InChIKeyYEIUPBJSXFJYEE-UHFFFAOYSA-N
XLogP3.98
TPSA88.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 133384325
(4-cyanophenyl)methyl 4-hydroxybenzoate
CID 2465166
N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(4-hydroxyphenyl)methyl]benzamide
CID 151961601
N-benzyl-4-cyano-N-[2-(2-phenylethynyl)phenyl]benzamide
CID 166175709
4-hydroxybenzonitrile
CID 53435365
4-cyano-N-[(4-fluorophenyl)methyl]-N-[3-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide
CID 42859549
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
4-[(4-hydroxyphenyl)methyl-pyridin-3-ylamino]benzonitrile
CID 23508486
N-[4-(aminomethyl)phenyl]-4-hydroxy-N-propylbenzamide
CID 43275719
N-benzyl-4-cyano-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 46056722
2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide
CID 113181175
N-[(4-cyanophenyl)methyl]-N,2-diphenylprop-2-enethioamide
CID 101039685

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-cyanophenyl)-N-[(4-hydroxyphenyl)methyl]benzamide?
The IUPAC name of 4-cyano-N-(4-cyanophenyl)-N-[(4-hydroxyphenyl)methyl]benzamide (CID 23508526) is 4-cyano-N-(4-cyanophenyl)-N-[(4-hydroxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-cyano-N-(4-cyanophenyl)-N-[(4-hydroxyphenyl)methyl]benzamide?
The canonical SMILES for 4-cyano-N-(4-cyanophenyl)-N-[(4-hydroxyphenyl)methyl]benzamide is N#Cc1ccc(C(=O)N(Cc2ccc(O)cc2)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-cyano-N-(4-cyanophenyl)-N-[(4-hydroxyphenyl)methyl]benzamide?
The InChIKey is YEIUPBJSXFJYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c23-13-16-1-7-19(8-2-16)22(27)25(15-18-5-11-21(26)12-6-18)20-9-3-17(14-24)4-10-20/h1-12,26H,15H2.
What are the key properties of 4-cyano-N-(4-cyanophenyl)-N-[(4-hydroxyphenyl)methyl]benzamide?
4-cyano-N-(4-cyanophenyl)-N-[(4-hydroxyphenyl)methyl]benzamide has a molecular weight of 353.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-cyanophenyl)-N-[(4-hydroxyphenyl)methyl]benzamide is sourced from PubChem (CID 23508526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).