4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide

C17H17Cl2N3O2 — CID 4276592

IUPAC4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide
SMILESCC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccn1
InChIInChI=1S/C17H17Cl2N3O2/c1-12(15-5-2-3-9-20-15)21-22-17(23)6-4-10-24-16-8-7-13(18)11-14(16)19/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,22,23)
InChIKeyKEVHIHXYCWJDFI-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.09
Rot. Bonds7

About 4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide

4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide (PubChem CID 4276592) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide
PubChem CID4276592
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide
SMILESCC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccn1
InChIInChI=1S/C17H17Cl2N3O2/c1-12(15-5-2-3-9-20-15)21-22-17(23)6-4-10-24-16-8-7-13(18)11-14(16)19/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,22,23)
InChIKeyKEVHIHXYCWJDFI-UHFFFAOYSA-N
XLogP4.09
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dichlorophenoxy)-N-(1-pyridin-4-ylethylideneamino)butanamide
CID 4136628
4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide
CID 136737987
4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide
CID 4284364
4-(2,4-dichlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]butanamide
CID 4095587
N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
CID 4258546
4-(2,4-dichlorophenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]butanamide
CID 4163359
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]butanamide
CID 6023846
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide
CID 6028022
4-(2,4-dichlorophenoxy)-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]butanamide
CID 135647724
4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide
CID 3711585
4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide
CID 4169401
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5402845

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide (CID 4276592) is 4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide is CC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccn1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide?
The InChIKey is KEVHIHXYCWJDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-12(15-5-2-3-9-20-15)21-22-17(23)6-4-10-24-16-8-7-13(18)11-14(16)19/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,22,23).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide?
4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide has a molecular weight of 366.25 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide is sourced from PubChem (CID 4276592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).