2-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylacetamide

C13H10ClFN2O — CID 974101

IUPAC2-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylacetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1ccncc1
InChIInChI=1S/C13H10ClFN2O/c14-11-2-1-3-12(15)10(11)8-13(18)17-9-4-6-16-7-5-9/h1-7H,8H2,(H,16,17,18)
InChIKeyBDWKYHGCHOGWBA-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.06
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylacetamide

2-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylacetamide (PubChem CID 974101) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylacetamide
PubChem CID974101
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylacetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1ccncc1
InChIInChI=1S/C13H10ClFN2O/c14-11-2-1-3-12(15)10(11)8-13(18)17-9-4-6-16-7-5-9/h1-7H,8H2,(H,16,17,18)
InChIKeyBDWKYHGCHOGWBA-UHFFFAOYSA-N
XLogP3.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.06
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-pyridin-4-ylacetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylacetamide (CID 974101) is 2-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylacetamide is O=C(Cc1c(F)cccc1Cl)Nc1ccncc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylacetamide?
The InChIKey is BDWKYHGCHOGWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c14-11-2-1-3-12(15)10(11)8-13(18)17-9-4-6-16-7-5-9/h1-7H,8H2,(H,16,17,18).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylacetamide?
2-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylacetamide has a molecular weight of 264.69 g/mol, XLogP of 3.06, 3 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-pyridin-4-ylacetamide is sourced from PubChem (CID 974101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).