4-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide

C17H16Cl2N2O3 — CID 135497925

IUPAC4-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1O
InChIInChI=1S/C17H16Cl2N2O3/c18-13-7-8-16(14(19)10-13)24-9-3-6-17(23)21-20-11-12-4-1-2-5-15(12)22/h1-2,4-5,7-8,10-11,22H,3,6,9H2,(H,21,23)/b20-11+
InChIKeyINTXPLVFGPOGKD-RGVLZGJSSA-N
MW367.23 g/mol
LogP4.01
Rot. Bonds7

About 4-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide

4-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide (PubChem CID 135497925) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
PubChem CID135497925
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name4-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1O
InChIInChI=1S/C17H16Cl2N2O3/c18-13-7-8-16(14(19)10-13)24-9-3-6-17(23)21-20-11-12-4-1-2-5-15(12)22/h1-2,4-5,7-8,10-11,22H,3,6,9H2,(H,21,23)/b20-11+
InChIKeyINTXPLVFGPOGKD-RGVLZGJSSA-N
XLogP4.01
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.01
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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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide (CID 135497925) is 4-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1O.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide?
The InChIKey is INTXPLVFGPOGKD-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c18-13-7-8-16(14(19)10-13)24-9-3-6-17(23)21-20-11-12-4-1-2-5-15(12)22/h1-2,4-5,7-8,10-11,22H,3,6,9H2,(H,21,23)/b20-11+.
What are the key properties of 4-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide?
4-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide has a molecular weight of 367.23 g/mol, XLogP of 4.01, 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-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 135497925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).