N-[3-cyano-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]acetamide

C22H17FN2O2 — CID 22918710

IUPACN-[3-cyano-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]acetamide
SMILESCC(=O)NC1=C(C#N)C(c2ccc(F)cc2)C2=C(O1)c1ccccc1CC2
InChIInChI=1S/C22H17FN2O2/c1-13(26)25-22-19(12-24)20(15-6-9-16(23)10-7-15)18-11-8-14-4-2-3-5-17(14)21(18)27-22/h2-7,9-10,20H,8,11H2,1H3,(H,25,26)
InChIKeyTZWPHKCVGQCFRV-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.17
Rot. Bonds2

About N-[3-cyano-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]acetamide

N-[3-cyano-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]acetamide (PubChem CID 22918710) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[3-cyano-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-cyano-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]acetamide
PubChem CID22918710
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC NameN-[3-cyano-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]acetamide
SMILESCC(=O)NC1=C(C#N)C(c2ccc(F)cc2)C2=C(O1)c1ccccc1CC2
InChIInChI=1S/C22H17FN2O2/c1-13(26)25-22-19(12-24)20(15-6-9-16(23)10-7-15)18-11-8-14-4-2-3-5-17(14)21(18)27-22/h2-7,9-10,20H,8,11H2,1H3,(H,25,26)
InChIKeyTZWPHKCVGQCFRV-UHFFFAOYSA-N
XLogP4.17
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-cyano-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]acetamide?
The IUPAC name of N-[3-cyano-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]acetamide (CID 22918710) is N-[3-cyano-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]acetamide.
What is the SMILES notation for N-[3-cyano-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]acetamide?
The canonical SMILES for N-[3-cyano-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]acetamide is CC(=O)NC1=C(C#N)C(c2ccc(F)cc2)C2=C(O1)c1ccccc1CC2.
What is the InChIKey of N-[3-cyano-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]acetamide?
The InChIKey is TZWPHKCVGQCFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c1-13(26)25-22-19(12-24)20(15-6-9-16(23)10-7-15)18-11-8-14-4-2-3-5-17(14)21(18)27-22/h2-7,9-10,20H,8,11H2,1H3,(H,25,26).
What are the key properties of N-[3-cyano-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]acetamide?
N-[3-cyano-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]acetamide has a molecular weight of 360.39 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(4-fluorophenyl)-5,6-dihydro-4H-benzo[h]chromen-2-yl]acetamide is sourced from PubChem (CID 22918710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).