2-(2-chloro-6-fluorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

C14H11ClFN3O — CID 25237224

IUPAC2-(2-chloro-6-fluorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)N/N=C/c1cccnc1
InChIInChI=1S/C14H11ClFN3O/c15-12-4-1-5-13(16)11(12)7-14(20)19-18-9-10-3-2-6-17-8-10/h1-6,8-9H,7H2,(H,19,20)/b18-9+
InChIKeyRQLXWVPRGJJWEK-GIJQJNRQSA-N
MW291.71 g/mol
LogP2.57
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

2-(2-chloro-6-fluorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (PubChem CID 25237224) has the molecular formula C14H11ClFN3O and a molecular weight of 291.71 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
PubChem CID25237224
Molecular FormulaC14H11ClFN3O
Molecular Weight291.71 g/mol
Exact Mass291.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)N/N=C/c1cccnc1
InChIInChI=1S/C14H11ClFN3O/c15-12-4-1-5-13(16)11(12)7-14(20)19-18-9-10-3-2-6-17-8-10/h1-6,8-9H,7H2,(H,19,20)/b18-9+
InChIKeyRQLXWVPRGJJWEK-GIJQJNRQSA-N
XLogP2.57
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (CID 25237224) is 2-(2-chloro-6-fluorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is O=C(Cc1c(F)cccc1Cl)N/N=C/c1cccnc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The InChIKey is RQLXWVPRGJJWEK-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H11ClFN3O/c15-12-4-1-5-13(16)11(12)7-14(20)19-18-9-10-3-2-6-17-8-10/h1-6,8-9H,7H2,(H,19,20)/b18-9+.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide has a molecular weight of 291.71 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 25237224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).