2-(6-chloro-4-phenyl-2-pyridinyl)-2-phenylacetamide

C19H15ClN2O — CID 87790319

IUPAC2-(6-chloro-4-phenyl-2-pyridinyl)-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)c1cc(-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C19H15ClN2O/c20-17-12-15(13-7-3-1-4-8-13)11-16(22-17)18(19(21)23)14-9-5-2-6-10-14/h1-12,18H,(H2,21,23)
InChIKeyRTZUGJKJLORNAA-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.02
Rot. Bonds4

About 2-(6-chloro-4-phenyl-2-pyridinyl)-2-phenylacetamide

2-(6-chloro-4-phenyl-2-pyridinyl)-2-phenylacetamide (PubChem CID 87790319) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-(6-chloro-4-phenyl-2-pyridinyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(6-chloro-4-phenyl-2-pyridinyl)-2-phenylacetamide
PubChem CID87790319
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name2-(6-chloro-4-phenyl-2-pyridinyl)-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)c1cc(-c2ccccc2)cc(Cl)n1
InChIInChI=1S/C19H15ClN2O/c20-17-12-15(13-7-3-1-4-8-13)11-16(22-17)18(19(21)23)14-9-5-2-6-10-14/h1-12,18H,(H2,21,23)
InChIKeyRTZUGJKJLORNAA-UHFFFAOYSA-N
XLogP4.02
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.02
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 2-(6-chloro-4-phenyl-2-pyridinyl)-2-phenylacetamide?
The IUPAC name of 2-(6-chloro-4-phenyl-2-pyridinyl)-2-phenylacetamide (CID 87790319) is 2-(6-chloro-4-phenyl-2-pyridinyl)-2-phenylacetamide.
What is the SMILES notation for 2-(6-chloro-4-phenyl-2-pyridinyl)-2-phenylacetamide?
The canonical SMILES for 2-(6-chloro-4-phenyl-2-pyridinyl)-2-phenylacetamide is NC(=O)C(c1ccccc1)c1cc(-c2ccccc2)cc(Cl)n1.
What is the InChIKey of 2-(6-chloro-4-phenyl-2-pyridinyl)-2-phenylacetamide?
The InChIKey is RTZUGJKJLORNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O/c20-17-12-15(13-7-3-1-4-8-13)11-16(22-17)18(19(21)23)14-9-5-2-6-10-14/h1-12,18H,(H2,21,23).
What are the key properties of 2-(6-chloro-4-phenyl-2-pyridinyl)-2-phenylacetamide?
2-(6-chloro-4-phenyl-2-pyridinyl)-2-phenylacetamide has a molecular weight of 322.80 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-phenyl-2-pyridinyl)-2-phenylacetamide is sourced from PubChem (CID 87790319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).