2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide

C16H16ClN3O2 — CID 9316764

IUPAC2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(Cl)c(C)c1)c1ccccn1
InChIInChI=1S/C16H16ClN3O2/c1-11-9-13(6-7-14(11)17)22-10-16(21)20-19-12(2)15-5-3-4-8-18-15/h3-9H,10H2,1-2H3,(H,20,21)/b19-12-
InChIKeyHQAWMJMUXQROCT-UNOMPAQXSA-N
MW317.78 g/mol
LogP2.96
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide

2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide (PubChem CID 9316764) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
PubChem CID9316764
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(Cl)c(C)c1)c1ccccn1
InChIInChI=1S/C16H16ClN3O2/c1-11-9-13(6-7-14(11)17)22-10-16(21)20-19-12(2)15-5-3-4-8-18-15/h3-9H,10H2,1-2H3,(H,20,21)/b19-12-
InChIKeyHQAWMJMUXQROCT-UNOMPAQXSA-N
XLogP2.96
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.96
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'}

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Related Compounds

2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide
CID 4542749
2-(4-fluorophenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 6089555
2-(4-chloro-3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 883765
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide
CID 6178293
2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]acetamide
CID 9316714
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 41038380
N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]pyridine-2-carboxamide
CID 158400664
2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]acetamide
CID 9316740
ethyl 3-[[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinylidene]butanoate
CID 4659321
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 71950740
N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
CID 4258546

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide (CID 9316764) is 2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide is C/C(=N/NC(=O)COc1ccc(Cl)c(C)c1)c1ccccn1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide?
The InChIKey is HQAWMJMUXQROCT-UNOMPAQXSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-11-9-13(6-7-14(11)17)22-10-16(21)20-19-12(2)15-5-3-4-8-18-15/h3-9H,10H2,1-2H3,(H,20,21)/b19-12-.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide has a molecular weight of 317.78 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide is sourced from PubChem (CID 9316764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).