2-(2-chloro-6-fluorophenyl)-N-(1-pyridin-4-ylethyl)acetamide

C15H14ClFN2O — CID 17148826

IUPAC2-(2-chloro-6-fluorophenyl)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCC(NC(=O)Cc1c(F)cccc1Cl)c1ccncc1
InChIInChI=1S/C15H14ClFN2O/c1-10(11-5-7-18-8-6-11)19-15(20)9-12-13(16)3-2-4-14(12)17/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyLYNOJCPEPOIVIV-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.29
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-(1-pyridin-4-ylethyl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(1-pyridin-4-ylethyl)acetamide (PubChem CID 17148826) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(1-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(1-pyridin-4-ylethyl)acetamide
PubChem CID17148826
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCC(NC(=O)Cc1c(F)cccc1Cl)c1ccncc1
InChIInChI=1S/C15H14ClFN2O/c1-10(11-5-7-18-8-6-11)19-15(20)9-12-13(16)3-2-4-14(12)17/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyLYNOJCPEPOIVIV-UHFFFAOYSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(1-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(1-pyridin-4-ylethyl)acetamide (CID 17148826) is 2-(2-chloro-6-fluorophenyl)-N-(1-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(1-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(1-pyridin-4-ylethyl)acetamide is CC(NC(=O)Cc1c(F)cccc1Cl)c1ccncc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(1-pyridin-4-ylethyl)acetamide?
The InChIKey is LYNOJCPEPOIVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-10(11-5-7-18-8-6-11)19-15(20)9-12-13(16)3-2-4-14(12)17/h2-8,10H,9H2,1H3,(H,19,20).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(1-pyridin-4-ylethyl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(1-pyridin-4-ylethyl)acetamide has a molecular weight of 292.74 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(1-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 17148826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).