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

C18H18Cl2N2O3 — CID 4095587

IUPAC4-(2,4-dichlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]butanamide
SMILESCC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(O)cc1
InChIInChI=1S/C18H18Cl2N2O3/c1-12(13-4-7-15(23)8-5-13)21-22-18(24)3-2-10-25-17-9-6-14(19)11-16(17)20/h4-9,11,23H,2-3,10H2,1H3,(H,22,24)
InChIKeyRPPPQOVUWJIKCE-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.40
Rot. Bonds7

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

4-(2,4-dichlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]butanamide (PubChem CID 4095587) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]butanamide
PubChem CID4095587
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name4-(2,4-dichlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]butanamide
SMILESCC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(O)cc1
InChIInChI=1S/C18H18Cl2N2O3/c1-12(13-4-7-15(23)8-5-13)21-22-18(24)3-2-10-25-17-9-6-14(19)11-16(17)20/h4-9,11,23H,2-3,10H2,1H3,(H,22,24)
InChIKeyRPPPQOVUWJIKCE-UHFFFAOYSA-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_B(215)', '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-pyridin-4-ylethylideneamino)butanamide
CID 4136628
4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide
CID 4284364
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]butanamide
CID 6023846
4-(2,4-dichlorophenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide
CID 136737987
N-[1-(4-aminophenyl)ethylideneamino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 5076363
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1354153
4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide
CID 4276592
2,4-dichloro-N-[4-[N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4521361
2-(2-bromo-4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 4926099
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
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7957341

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]butanamide (CID 4095587) is 4-(2,4-dichlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]butanamide is CC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(O)cc1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]butanamide?
The InChIKey is RPPPQOVUWJIKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-12(13-4-7-15(23)8-5-13)21-22-18(24)3-2-10-25-17-9-6-14(19)11-16(17)20/h4-9,11,23H,2-3,10H2,1H3,(H,22,24).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]butanamide?
4-(2,4-dichlorophenoxy)-N-[1-(4-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-[1-(4-hydroxyphenyl)ethylideneamino]butanamide is sourced from PubChem (CID 4095587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).