N-(5-chloro-2-pyridinyl)-3,3-diphenylpropanamide

C20H17ClN2O — CID 878314

IUPACN-(5-chloro-2-pyridinyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C20H17ClN2O/c21-17-11-12-19(22-14-17)23-20(24)13-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,18H,13H2,(H,22,23,24)
InChIKeyLTVWSMZJEOGPIG-UHFFFAOYSA-N
MW336.82 g/mol
LogP4.90
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-3,3-diphenylpropanamide

N-(5-chloro-2-pyridinyl)-3,3-diphenylpropanamide (PubChem CID 878314) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3,3-diphenylpropanamide
PubChem CID878314
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC NameN-(5-chloro-2-pyridinyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C20H17ClN2O/c21-17-11-12-19(22-14-17)23-20(24)13-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,18H,13H2,(H,22,23,24)
InChIKeyLTVWSMZJEOGPIG-UHFFFAOYSA-N
XLogP4.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-chloro-2-pyridinyl)-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-(5-chloro-2-pyridinyl)-3,3-diphenylpropanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3,3-diphenylpropanamide (CID 878314) is N-(5-chloro-2-pyridinyl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3,3-diphenylpropanamide?
The InChIKey is LTVWSMZJEOGPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c21-17-11-12-19(22-14-17)23-20(24)13-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,18H,13H2,(H,22,23,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-3,3-diphenylpropanamide?
N-(5-chloro-2-pyridinyl)-3,3-diphenylpropanamide has a molecular weight of 336.82 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3,3-diphenylpropanamide is sourced from PubChem (CID 878314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).