2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

C14H12ClN3O — CID 25237213

IUPAC2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESO=C(Cc1ccccc1Cl)N/N=C/c1cccnc1
InChIInChI=1S/C14H12ClN3O/c15-13-6-2-1-5-12(13)8-14(19)18-17-10-11-4-3-7-16-9-11/h1-7,9-10H,8H2,(H,18,19)/b17-10+
InChIKeyMPXFLLLVRWUIQU-LICLKQGHSA-N
MW273.72 g/mol
LogP2.43
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (PubChem CID 25237213) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
PubChem CID25237213
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESO=C(Cc1ccccc1Cl)N/N=C/c1cccnc1
InChIInChI=1S/C14H12ClN3O/c15-13-6-2-1-5-12(13)8-14(19)18-17-10-11-4-3-7-16-9-11/h1-7,9-10H,8H2,(H,18,19)/b17-10+
InChIKeyMPXFLLLVRWUIQU-LICLKQGHSA-N
XLogP2.43
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.43
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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Related Compounds

N-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 4633351
2-(2-chlorophenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6863841
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 696915
N-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 727974
2-(4-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5428272
2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 764281
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 126202012
2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 42992721
N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide
CID 6018184
N-[(Z)-pyridin-3-ylmethylideneamino]decanamide
CID 6008044
2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 935509

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (CID 25237213) is 2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is O=C(Cc1ccccc1Cl)N/N=C/c1cccnc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The InChIKey is MPXFLLLVRWUIQU-LICLKQGHSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-13-6-2-1-5-12(13)8-14(19)18-17-10-11-4-3-7-16-9-11/h1-7,9-10H,8H2,(H,18,19)/b17-10+.
What are the key properties of 2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide has a molecular weight of 273.72 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 25237213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).