N-(2-cyanophenyl)-2-(9H-xanthen-9-yl)acetamide

C22H16N2O2 — CID 684449

IUPACN-(2-cyanophenyl)-2-(9H-xanthen-9-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)CC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H16N2O2/c23-14-15-7-1-4-10-19(15)24-22(25)13-18-16-8-2-5-11-20(16)26-21-12-6-3-9-17(18)21/h1-12,18H,13H2,(H,24,25)
InChIKeyCJGDBCUPDVJWOB-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.82
Rot. Bonds3

About N-(2-cyanophenyl)-2-(9H-xanthen-9-yl)acetamide

N-(2-cyanophenyl)-2-(9H-xanthen-9-yl)acetamide (PubChem CID 684449) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(9H-xanthen-9-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(9H-xanthen-9-yl)acetamide
PubChem CID684449
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC NameN-(2-cyanophenyl)-2-(9H-xanthen-9-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)CC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H16N2O2/c23-14-15-7-1-4-10-19(15)24-22(25)13-18-16-8-2-5-11-20(16)26-21-12-6-3-9-17(18)21/h1-12,18H,13H2,(H,24,25)
InChIKeyCJGDBCUPDVJWOB-UHFFFAOYSA-N
XLogP4.82
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(9H-xanthen-9-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(9H-xanthen-9-yl)acetamide (CID 684449) is N-(2-cyanophenyl)-2-(9H-xanthen-9-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(9H-xanthen-9-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(9H-xanthen-9-yl)acetamide is N#Cc1ccccc1NC(=O)CC1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(2-cyanophenyl)-2-(9H-xanthen-9-yl)acetamide?
The InChIKey is CJGDBCUPDVJWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c23-14-15-7-1-4-10-19(15)24-22(25)13-18-16-8-2-5-11-20(16)26-21-12-6-3-9-17(18)21/h1-12,18H,13H2,(H,24,25).
What are the key properties of N-(2-cyanophenyl)-2-(9H-xanthen-9-yl)acetamide?
N-(2-cyanophenyl)-2-(9H-xanthen-9-yl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(9H-xanthen-9-yl)acetamide is sourced from PubChem (CID 684449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).