2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide

C14H13ClN2O — CID 2971027

IUPAC2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1ccccc1Cl)NCc1cccnc1
InChIInChI=1S/C14H13ClN2O/c15-13-6-2-1-5-12(13)8-14(18)17-10-11-4-3-7-16-9-11/h1-7,9H,8,10H2,(H,17,18)
InChIKeyFHHYJFDESFRWLW-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.59
Rot. Bonds4

About 2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide

2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 2971027) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID2971027
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1ccccc1Cl)NCc1cccnc1
InChIInChI=1S/C14H13ClN2O/c15-13-6-2-1-5-12(13)8-14(18)17-10-11-4-3-7-16-9-11/h1-7,9H,8,10H2,(H,17,18)
InChIKeyFHHYJFDESFRWLW-UHFFFAOYSA-N
XLogP2.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide (CID 2971027) is 2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide is O=C(Cc1ccccc1Cl)NCc1cccnc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is FHHYJFDESFRWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-13-6-2-1-5-12(13)8-14(18)17-10-11-4-3-7-16-9-11/h1-7,9H,8,10H2,(H,17,18).
What are the key properties of 2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide?
2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 260.72 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 2971027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).