4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide

C18H18Cl2N2O3 — CID 136737987

IUPAC4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide
SMILESC/C(=N/NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1O
InChIInChI=1S/C18H18Cl2N2O3/c1-12(14-5-2-3-6-16(14)23)21-22-18(24)7-4-10-25-17-9-8-13(19)11-15(17)20/h2-3,5-6,8-9,11,23H,4,7,10H2,1H3,(H,22,24)/b21-12-
InChIKeyHRYJQGZHPXKUQL-MTJSOVHGSA-N
MW381.26 g/mol
LogP4.40
Rot. Bonds7

About 4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide

4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide (PubChem CID 136737987) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide
PubChem CID136737987
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide
SMILESC/C(=N/NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1O
InChIInChI=1S/C18H18Cl2N2O3/c1-12(14-5-2-3-6-16(14)23)21-22-18(24)7-4-10-25-17-9-8-13(19)11-15(17)20/h2-3,5-6,8-9,11,23H,4,7,10H2,1H3,(H,22,24)/b21-12-
InChIKeyHRYJQGZHPXKUQL-MTJSOVHGSA-N
XLogP4.40
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-(2-hydroxyphenyl)propylideneamino]butanamide
CID 4163359
2-(2,4-dichlorophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135490414
4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide
CID 4276592
4-(2,4-dichlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]butanamide
CID 4095587
4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide
CID 4284364
4-(2,4-dichlorophenoxy)-N-(1-pyridin-4-ylethylideneamino)butanamide
CID 4136628
4-(2,4-dichlorophenoxy)-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]butanamide
CID 135647724
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4155811
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]butanamide
CID 6023846
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 2254015
4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide
CID 3711585
4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide
CID 4169401

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide (CID 136737987) is 4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide is C/C(=N/NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1O.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide?
The InChIKey is HRYJQGZHPXKUQL-MTJSOVHGSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-12(14-5-2-3-6-16(14)23)21-22-18(24)7-4-10-25-17-9-8-13(19)11-15(17)20/h2-3,5-6,8-9,11,23H,4,7,10H2,1H3,(H,22,24)/b21-12-.
What are the key properties of 4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide?
4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide has a molecular weight of 381.26 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide is sourced from PubChem (CID 136737987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).