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

C19H20Cl2N2O3 — CID 4163359

IUPAC4-(2,4-dichlorophenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]butanamide
SMILESCCC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1O
InChIInChI=1S/C19H20Cl2N2O3/c1-2-16(14-6-3-4-7-17(14)24)22-23-19(25)8-5-11-26-18-10-9-13(20)12-15(18)21/h3-4,6-7,9-10,12,24H,2,5,8,11H2,1H3,(H,23,25)
InChIKeyVVZRXHFIJLDFGJ-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.79
Rot. Bonds8

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

4-(2,4-dichlorophenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]butanamide (PubChem CID 4163359) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]butanamide
PubChem CID4163359
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name4-(2,4-dichlorophenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]butanamide
SMILESCCC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1O
InChIInChI=1S/C19H20Cl2N2O3/c1-2-16(14-6-3-4-7-17(14)24)22-23-19(25)8-5-11-26-18-10-9-13(20)12-15(18)21/h3-4,6-7,9-10,12,24H,2,5,8,11H2,1H3,(H,23,25)
InChIKeyVVZRXHFIJLDFGJ-UHFFFAOYSA-N
XLogP4.79
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.79
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-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide
CID 136737987
N,N'-bis[1-(2-hydroxyphenyl)propylideneamino]hexanediamide
CID 3340797
4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide
CID 4276592
N-[1-(2-hydroxyphenyl)propylideneamino]pentanamide
CID 4060923
4-(2,4-dichlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]butanamide
CID 4095587
2-(2,4-dichlorophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135490414
4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide
CID 3711585
4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide
CID 4284364
4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
CID 17188242
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]dodecanamide
CID 135533779
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 6023036
N-[1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 4154549

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]butanamide (CID 4163359) is 4-(2,4-dichlorophenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]butanamide is CCC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1O.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]butanamide?
The InChIKey is VVZRXHFIJLDFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-2-16(14-6-3-4-7-17(14)24)22-23-19(25)8-5-11-26-18-10-9-13(20)12-15(18)21/h3-4,6-7,9-10,12,24H,2,5,8,11H2,1H3,(H,23,25).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]butanamide?
4-(2,4-dichlorophenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]butanamide has a molecular weight of 395.29 g/mol, XLogP of 4.79, 8 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-(2-hydroxyphenyl)propylideneamino]butanamide is sourced from PubChem (CID 4163359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).