2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide

C20H16ClN3O2 — CID 3256701

IUPAC2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NN=C(c1ccccc1)c1ccccn1
InChIInChI=1S/C20H16ClN3O2/c21-16-9-11-17(12-10-16)26-14-19(25)23-24-20(15-6-2-1-3-7-15)18-8-4-5-13-22-18/h1-13H,14H2,(H,23,25)
InChIKeyKMXJYWKKIUKUTO-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.68
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide

2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide (PubChem CID 3256701) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
PubChem CID3256701
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NN=C(c1ccccc1)c1ccccn1
InChIInChI=1S/C20H16ClN3O2/c21-16-9-11-17(12-10-16)26-14-19(25)23-24-20(15-6-2-1-3-7-15)18-8-4-5-13-22-18/h1-13H,14H2,(H,23,25)
InChIKeyKMXJYWKKIUKUTO-UHFFFAOYSA-N
XLogP3.68
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 3534391
(4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 5341278
2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 4047158
ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 6022033
2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 6089555
2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 9316764
2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4536302
(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 6387241
2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 4522420
2-hydroxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6262559
4-[(4-chloro-3-methylphenoxy)methyl]-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6263348
3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 840468

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide (CID 3256701) is 2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide is O=C(COc1ccc(Cl)cc1)NN=C(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide?
The InChIKey is KMXJYWKKIUKUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c21-16-9-11-17(12-10-16)26-14-19(25)23-24-20(15-6-2-1-3-7-15)18-8-4-5-13-22-18/h1-13H,14H2,(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide?
2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide has a molecular weight of 365.82 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide is sourced from PubChem (CID 3256701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).