2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide

C14H12ClN3O2 — CID 5413877

IUPAC2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
SMILESO=C(COc1ccccc1Cl)N/N=C\c1ccccn1
InChIInChI=1S/C14H12ClN3O2/c15-12-6-1-2-7-13(12)20-10-14(19)18-17-9-11-5-3-4-8-16-11/h1-9H,10H2,(H,18,19)/b17-9-
InChIKeyRRQSXYKOBJWGIF-MFOYZWKCSA-N
MW289.72 g/mol
LogP2.26
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide

2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide (PubChem CID 5413877) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
PubChem CID5413877
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
SMILESO=C(COc1ccccc1Cl)N/N=C\c1ccccn1
InChIInChI=1S/C14H12ClN3O2/c15-12-6-1-2-7-13(12)20-10-14(19)18-17-9-11-5-3-4-8-16-11/h1-9H,10H2,(H,18,19)/b17-9-
InChIKeyRRQSXYKOBJWGIF-MFOYZWKCSA-N
XLogP2.26
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.26
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-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide
CID 639603
2-(2-benzylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 9359665
2-(2-chlorophenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6863841
2-(4-methoxyphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5425519
2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104421
2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 905230
2-(4-tert-butyl-2-methylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 7037195
N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
CID 6874692
2-naphthalen-2-yloxy-N-(pyridin-2-ylmethylideneamino)acetamide
CID 826768
2-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide;dihydrate
CID 139147248
2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5391030
2-(2-chlorophenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426500

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide (CID 5413877) is 2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is O=C(COc1ccccc1Cl)N/N=C\c1ccccn1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The InChIKey is RRQSXYKOBJWGIF-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-12-6-1-2-7-13(12)20-10-14(19)18-17-9-11-5-3-4-8-16-11/h1-9H,10H2,(H,18,19)/b17-9-.
What are the key properties of 2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide has a molecular weight of 289.72 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 5413877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).