2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide

C15H14ClN3O2 — CID 4047158

IUPAC2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
SMILESCC(=NNC(=O)COc1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C15H14ClN3O2/c1-11(12-3-2-8-17-9-12)18-19-15(20)10-21-14-6-4-13(16)5-7-14/h2-9H,10H2,1H3,(H,19,20)
InChIKeyBQACFKLCGXLELC-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.65
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide

2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide (PubChem CID 4047158) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
PubChem CID4047158
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
SMILESCC(=NNC(=O)COc1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C15H14ClN3O2/c1-11(12-3-2-8-17-9-12)18-19-15(20)10-21-14-6-4-13(16)5-7-14/h2-9H,10H2,1H3,(H,19,20)
InChIKeyBQACFKLCGXLELC-UHFFFAOYSA-N
XLogP2.65
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.65
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-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 9359023
2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide
CID 6062096
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
CID 6920998
2-(3-chlorophenoxy)-N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 683722
2-(4-chlorophenoxy)-1-pyridin-3-ylethanone
CID 86157573
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide
CID 6028022
[(Z)-1-pyridin-3-ylethylideneamino]urea
CID 5355222
4-chloro-N-[3-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 5007184
4-chloro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 6246372
2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 3748878

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide (CID 4047158) is 2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide is CC(=NNC(=O)COc1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide?
The InChIKey is BQACFKLCGXLELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-11(12-3-2-8-17-9-12)18-19-15(20)10-21-14-6-4-13(16)5-7-14/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide?
2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide has a molecular weight of 303.75 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide is sourced from PubChem (CID 4047158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).