3-cyano-N,N-bis(4-hydroxyphenyl)benzamide

C20H14N2O3 — CID 23582855

IUPAC3-cyano-N,N-bis(4-hydroxyphenyl)benzamide
SMILESN#Cc1cccc(C(=O)N(c2ccc(O)cc2)c2ccc(O)cc2)c1
InChIInChI=1S/C20H14N2O3/c21-13-14-2-1-3-15(12-14)20(25)22(16-4-8-18(23)9-5-16)17-6-10-19(24)11-7-17/h1-12,23-24H
InChIKeyRZTUUNAFYAFTCO-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.95
Rot. Bonds3

About 3-cyano-N,N-bis(4-hydroxyphenyl)benzamide

3-cyano-N,N-bis(4-hydroxyphenyl)benzamide (PubChem CID 23582855) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 3-cyano-N,N-bis(4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3-cyano-N,N-bis(4-hydroxyphenyl)benzamide
PubChem CID23582855
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name3-cyano-N,N-bis(4-hydroxyphenyl)benzamide
SMILESN#Cc1cccc(C(=O)N(c2ccc(O)cc2)c2ccc(O)cc2)c1
InChIInChI=1S/C20H14N2O3/c21-13-14-2-1-3-15(12-14)20(25)22(16-4-8-18(23)9-5-16)17-6-10-19(24)11-7-17/h1-12,23-24H
InChIKeyRZTUUNAFYAFTCO-UHFFFAOYSA-N
XLogP3.95
TPSA84.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-cyano-N-ethyl-N-(3-methylphenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N,N-bis(4-hydroxyphenyl)benzamide?
The IUPAC name of 3-cyano-N,N-bis(4-hydroxyphenyl)benzamide (CID 23582855) is 3-cyano-N,N-bis(4-hydroxyphenyl)benzamide.
What is the SMILES notation for 3-cyano-N,N-bis(4-hydroxyphenyl)benzamide?
The canonical SMILES for 3-cyano-N,N-bis(4-hydroxyphenyl)benzamide is N#Cc1cccc(C(=O)N(c2ccc(O)cc2)c2ccc(O)cc2)c1.
What is the InChIKey of 3-cyano-N,N-bis(4-hydroxyphenyl)benzamide?
The InChIKey is RZTUUNAFYAFTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c21-13-14-2-1-3-15(12-14)20(25)22(16-4-8-18(23)9-5-16)17-6-10-19(24)11-7-17/h1-12,23-24H.
What are the key properties of 3-cyano-N,N-bis(4-hydroxyphenyl)benzamide?
3-cyano-N,N-bis(4-hydroxyphenyl)benzamide has a molecular weight of 330.34 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N,N-bis(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 23582855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).