2-[6-(3-chlorophenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide

C20H16ClFN2O — CID 11530484

IUPAC2-[6-(3-chlorophenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1ccc(-c2cccc(Cl)c2)nc1)NCc1cccc(F)c1
InChIInChI=1S/C20H16ClFN2O/c21-17-5-2-4-16(11-17)19-8-7-15(12-23-19)10-20(25)24-13-14-3-1-6-18(22)9-14/h1-9,11-12H,10,13H2,(H,24,25)
InChIKeyCKKIJYBDCNXYKY-UHFFFAOYSA-N
MW354.81 g/mol
LogP4.40
Rot. Bonds5

About 2-[6-(3-chlorophenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide

2-[6-(3-chlorophenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 11530484) has the molecular formula C20H16ClFN2O and a molecular weight of 354.81 g/mol. Its IUPAC name is 2-[6-(3-chlorophenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-(3-chlorophenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID11530484
Molecular FormulaC20H16ClFN2O
Molecular Weight354.81 g/mol
Exact Mass354.09
IUPAC Name2-[6-(3-chlorophenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1ccc(-c2cccc(Cl)c2)nc1)NCc1cccc(F)c1
InChIInChI=1S/C20H16ClFN2O/c21-17-5-2-4-16(11-17)19-8-7-15(12-23-19)10-20(25)24-13-14-3-1-6-18(22)9-14/h1-9,11-12H,10,13H2,(H,24,25)
InChIKeyCKKIJYBDCNXYKY-UHFFFAOYSA-N
XLogP4.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chlorophenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[6-(3-chlorophenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide (CID 11530484) is 2-[6-(3-chlorophenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[6-(3-chlorophenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[6-(3-chlorophenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide is O=C(Cc1ccc(-c2cccc(Cl)c2)nc1)NCc1cccc(F)c1.
What is the InChIKey of 2-[6-(3-chlorophenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is CKKIJYBDCNXYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O/c21-17-5-2-4-16(11-17)19-8-7-15(12-23-19)10-20(25)24-13-14-3-1-6-18(22)9-14/h1-9,11-12H,10,13H2,(H,24,25).
What are the key properties of 2-[6-(3-chlorophenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide?
2-[6-(3-chlorophenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 354.81 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chlorophenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 11530484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).