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

C17H17Cl2N3O2 — CID 4136628

IUPAC4-(2,4-dichlorophenoxy)-N-(1-pyridin-4-ylethylideneamino)butanamide
SMILESCC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C17H17Cl2N3O2/c1-12(13-6-8-20-9-7-13)21-22-17(23)3-2-10-24-16-5-4-14(18)11-15(16)19/h4-9,11H,2-3,10H2,1H3,(H,22,23)
InChIKeyASBHJFIJMWTYNK-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.09
Rot. Bonds7

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

4-(2,4-dichlorophenoxy)-N-(1-pyridin-4-ylethylideneamino)butanamide (PubChem CID 4136628) 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-4-ylethylideneamino)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(1-pyridin-4-ylethylideneamino)butanamide
PubChem CID4136628
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name4-(2,4-dichlorophenoxy)-N-(1-pyridin-4-ylethylideneamino)butanamide
SMILESCC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C17H17Cl2N3O2/c1-12(13-6-8-20-9-7-13)21-22-17(23)3-2-10-24-16-5-4-14(18)11-15(16)19/h4-9,11H,2-3,10H2,1H3,(H,22,23)
InChIKeyASBHJFIJMWTYNK-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-(4-hydroxyphenyl)ethylideneamino]butanamide
CID 4095587
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]butanamide
CID 6023846
4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide
CID 4276592
4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide
CID 4284364
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide
CID 6028022
N-[1-(4-aminophenyl)ethylideneamino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 5076363
4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide
CID 136737987
2,4-dichloro-N-[4-[N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4521361
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1354153
4-chloro-N-[4-[N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4110646
4-(2,4-dichlorophenoxy)-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]butanamide
CID 135647724
4-(2,4-dichlorophenoxy)-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide
CID 4500973

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(1-pyridin-4-ylethylideneamino)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(1-pyridin-4-ylethylideneamino)butanamide (CID 4136628) is 4-(2,4-dichlorophenoxy)-N-(1-pyridin-4-ylethylideneamino)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(1-pyridin-4-ylethylideneamino)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(1-pyridin-4-ylethylideneamino)butanamide is CC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccncc1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(1-pyridin-4-ylethylideneamino)butanamide?
The InChIKey is ASBHJFIJMWTYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-12(13-6-8-20-9-7-13)21-22-17(23)3-2-10-24-16-5-4-14(18)11-15(16)19/h4-9,11H,2-3,10H2,1H3,(H,22,23).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(1-pyridin-4-ylethylideneamino)butanamide?
4-(2,4-dichlorophenoxy)-N-(1-pyridin-4-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-4-ylethylideneamino)butanamide is sourced from PubChem (CID 4136628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).