2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(9-oxofluoren-2-yl)acetamide

C27H20N2O2 — CID 127029255

IUPAC2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(9-oxofluoren-2-yl)acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3-4)cc2)ccn1
InChIInChI=1S/C27H20N2O2/c1-17-14-20(12-13-28-17)19-8-6-18(7-9-19)15-26(30)29-21-10-11-23-22-4-2-3-5-24(22)27(31)25(23)16-21/h2-14,16H,15H2,1H3,(H,29,30)
InChIKeyAKGSBPSNXKNEDJ-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.45
Rot. Bonds4

About 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(9-oxofluoren-2-yl)acetamide

2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(9-oxofluoren-2-yl)acetamide (PubChem CID 127029255) has the molecular formula C27H20N2O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(9-oxofluoren-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(9-oxofluoren-2-yl)acetamide
PubChem CID127029255
Molecular FormulaC27H20N2O2
Molecular Weight404.47 g/mol
Exact Mass404.15
IUPAC Name2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(9-oxofluoren-2-yl)acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3-4)cc2)ccn1
InChIInChI=1S/C27H20N2O2/c1-17-14-20(12-13-28-17)19-8-6-18(7-9-19)15-26(30)29-21-10-11-23-22-4-2-3-5-24(22)27(31)25(23)16-21/h2-14,16H,15H2,1H3,(H,29,30)
InChIKeyAKGSBPSNXKNEDJ-UHFFFAOYSA-N
XLogP5.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(9-oxofluoren-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 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(9-oxofluoren-2-yl)acetamide?
The IUPAC name of 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(9-oxofluoren-2-yl)acetamide (CID 127029255) is 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(9-oxofluoren-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(9-oxofluoren-2-yl)acetamide?
The canonical SMILES for 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(9-oxofluoren-2-yl)acetamide is Cc1cc(-c2ccc(CC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3-4)cc2)ccn1.
What is the InChIKey of 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(9-oxofluoren-2-yl)acetamide?
The InChIKey is AKGSBPSNXKNEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O2/c1-17-14-20(12-13-28-17)19-8-6-18(7-9-19)15-26(30)29-21-10-11-23-22-4-2-3-5-24(22)27(31)25(23)16-21/h2-14,16H,15H2,1H3,(H,29,30).
What are the key properties of 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(9-oxofluoren-2-yl)acetamide?
2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(9-oxofluoren-2-yl)acetamide has a molecular weight of 404.47 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(9-oxofluoren-2-yl)acetamide is sourced from PubChem (CID 127029255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).