2-(2-chloro-6-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide

C14H12ClFN2O — CID 839135

IUPAC2-(2-chloro-6-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCc1cccnc1
InChIInChI=1S/C14H12ClFN2O/c15-12-4-1-5-13(16)11(12)7-14(19)18-9-10-3-2-6-17-8-10/h1-6,8H,7,9H2,(H,18,19)
InChIKeyNVVRWAONAIVGBJ-UHFFFAOYSA-N
MW278.71 g/mol
LogP2.73
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 839135) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID839135
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCc1cccnc1
InChIInChI=1S/C14H12ClFN2O/c15-12-4-1-5-13(16)11(12)7-14(19)18-9-10-3-2-6-17-8-10/h1-6,8H,7,9H2,(H,18,19)
InChIKeyNVVRWAONAIVGBJ-UHFFFAOYSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 52.73
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-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide (CID 839135) is 2-(2-chloro-6-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide is O=C(Cc1c(F)cccc1Cl)NCc1cccnc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is NVVRWAONAIVGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-12-4-1-5-13(16)11(12)7-14(19)18-9-10-3-2-6-17-8-10/h1-6,8H,7,9H2,(H,18,19).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 278.71 g/mol, XLogP of 2.73, 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-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 839135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).