3-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N-(2-chlorophenyl)propanamide

C20H15Cl3N2O — CID 86607813

IUPAC3-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N-(2-chlorophenyl)propanamide
SMILESO=C(CCc1cnc(Cl)cc1-c1ccccc1Cl)Nc1ccccc1Cl
InChIInChI=1S/C20H15Cl3N2O/c21-16-6-2-1-5-14(16)15-11-19(23)24-12-13(15)9-10-20(26)25-18-8-4-3-7-17(18)22/h1-8,11-12H,9-10H2,(H,25,26)
InChIKeyARKFXAIWRWGASG-UHFFFAOYSA-N
MW405.71 g/mol
LogP6.28
Rot. Bonds5

About 3-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N-(2-chlorophenyl)propanamide

3-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N-(2-chlorophenyl)propanamide (PubChem CID 86607813) has the molecular formula C20H15Cl3N2O and a molecular weight of 405.71 g/mol. Its IUPAC name is 3-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N-(2-chlorophenyl)propanamide
PubChem CID86607813
Molecular FormulaC20H15Cl3N2O
Molecular Weight405.71 g/mol
Exact Mass404.02
IUPAC Name3-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N-(2-chlorophenyl)propanamide
SMILESO=C(CCc1cnc(Cl)cc1-c1ccccc1Cl)Nc1ccccc1Cl
InChIInChI=1S/C20H15Cl3N2O/c21-16-6-2-1-5-14(16)15-11-19(23)24-12-13(15)9-10-20(26)25-18-8-4-3-7-17(18)22/h1-8,11-12H,9-10H2,(H,25,26)
InChIKeyARKFXAIWRWGASG-UHFFFAOYSA-N
XLogP6.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.71
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N-(2-chlorophenyl)propanamide (CID 86607813) is 3-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N-(2-chlorophenyl)propanamide is O=C(CCc1cnc(Cl)cc1-c1ccccc1Cl)Nc1ccccc1Cl.
What is the InChIKey of 3-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N-(2-chlorophenyl)propanamide?
The InChIKey is ARKFXAIWRWGASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3N2O/c21-16-6-2-1-5-14(16)15-11-19(23)24-12-13(15)9-10-20(26)25-18-8-4-3-7-17(18)22/h1-8,11-12H,9-10H2,(H,25,26).
What are the key properties of 3-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N-(2-chlorophenyl)propanamide?
3-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N-(2-chlorophenyl)propanamide has a molecular weight of 405.71 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 86607813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).