2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

C20H23ClN4O2 — CID 135576953

IUPAC2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1ccccc1O
InChIInChI=1S/C20H23ClN4O2/c21-18-7-3-1-6-17(18)14-24-9-11-25(12-10-24)15-20(27)23-22-13-16-5-2-4-8-19(16)26/h1-8,13,26H,9-12,14-15H2,(H,23,27)/b22-13+
InChIKeyUTJIBQDLOLITQF-LPYMAVHISA-N
MW386.88 g/mol
LogP2.31
Rot. Bonds6

About 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135576953) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135576953
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1ccccc1O
InChIInChI=1S/C20H23ClN4O2/c21-18-7-3-1-6-17(18)14-24-9-11-25(12-10-24)15-20(27)23-22-13-16-5-2-4-8-19(16)26/h1-8,13,26H,9-12,14-15H2,(H,23,27)/b22-13+
InChIKeyUTJIBQDLOLITQF-LPYMAVHISA-N
XLogP2.31
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135576953) is 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1ccccc1O.
What is the InChIKey of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is UTJIBQDLOLITQF-LPYMAVHISA-N. The full InChI is InChI=1S/C20H23ClN4O2/c21-18-7-3-1-6-17(18)14-24-9-11-25(12-10-24)15-20(27)23-22-13-16-5-2-4-8-19(16)26/h1-8,13,26H,9-12,14-15H2,(H,23,27)/b22-13+.
What are the key properties of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 386.88 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135576953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).