N-[4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide

C27H23FN2O2 — CID 175481208

IUPACN-[4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
SMILESCOc1cncc(F)c1-c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H23FN2O2/c1-32-25-18-29-17-24(28)27(25)21-12-14-22(15-13-21)30-26(31)16-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17-18,23H,16H2,1H3,(H,30,31)
InChIKeyXABKTXQIMVVELF-UHFFFAOYSA-N
MW426.49 g/mol
LogP6.06
Rot. Bonds7

About N-[4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide

N-[4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide (PubChem CID 175481208) has the molecular formula C27H23FN2O2 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
PubChem CID175481208
Molecular FormulaC27H23FN2O2
Molecular Weight426.49 g/mol
Exact Mass426.17
IUPAC NameN-[4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
SMILESCOc1cncc(F)c1-c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H23FN2O2/c1-32-25-18-29-17-24(28)27(25)21-12-14-22(15-13-21)30-26(31)16-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17-18,23H,16H2,1H3,(H,30,31)
InChIKeyXABKTXQIMVVELF-UHFFFAOYSA-N
XLogP6.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.49
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide 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-[4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide (CID 175481208) is N-[4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide is COc1cncc(F)c1-c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide?
The InChIKey is XABKTXQIMVVELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O2/c1-32-25-18-29-17-24(28)27(25)21-12-14-22(15-13-21)30-26(31)16-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17-18,23H,16H2,1H3,(H,30,31).
What are the key properties of N-[4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide?
N-[4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide has a molecular weight of 426.49 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 175481208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).