N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)acetamide

C22H16N2O2 — CID 5123035

IUPACN-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)acetamide
SMILESCC(=O)NC1=C(C#N)C(c2ccccc2)c2c(ccc3ccccc23)O1
InChIInChI=1S/C22H16N2O2/c1-14(25)24-22-18(13-23)20(16-8-3-2-4-9-16)21-17-10-6-5-7-15(17)11-12-19(21)26-22/h2-12,20H,1H3,(H,24,25)
InChIKeyQAFFESXRWSIJFA-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.24
Rot. Bonds2

About N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)acetamide

N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)acetamide (PubChem CID 5123035) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)acetamide
PubChem CID5123035
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC NameN-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)acetamide
SMILESCC(=O)NC1=C(C#N)C(c2ccccc2)c2c(ccc3ccccc23)O1
InChIInChI=1S/C22H16N2O2/c1-14(25)24-22-18(13-23)20(16-8-3-2-4-9-16)21-17-10-6-5-7-15(17)11-12-19(21)26-22/h2-12,20H,1H3,(H,24,25)
InChIKeyQAFFESXRWSIJFA-UHFFFAOYSA-N
XLogP4.24
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)acetamide?
The IUPAC name of N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)acetamide (CID 5123035) is N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)acetamide.
What is the SMILES notation for N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)acetamide?
The canonical SMILES for N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)acetamide is CC(=O)NC1=C(C#N)C(c2ccccc2)c2c(ccc3ccccc23)O1.
What is the InChIKey of N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)acetamide?
The InChIKey is QAFFESXRWSIJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-14(25)24-22-18(13-23)20(16-8-3-2-4-9-16)21-17-10-6-5-7-15(17)11-12-19(21)26-22/h2-12,20H,1H3,(H,24,25).
What are the key properties of N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)acetamide?
N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)acetamide is sourced from PubChem (CID 5123035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).