N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

C20H21FN4O3 — CID 6876733

IUPACN-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccccc2F)CC1
InChIInChI=1S/C20H21FN4O3/c1-28-18-9-5-4-8-17(18)24-10-12-25(13-11-24)20(27)19(26)23-22-14-15-6-2-3-7-16(15)21/h2-9,14H,10-13H2,1H3,(H,23,26)/b22-14+
InChIKeyGEYFNRACGAEUHG-HYARGMPZSA-N
MW384.41 g/mol
LogP1.63
Rot. Bonds4

About N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 6876733) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID6876733
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC NameN-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccccc2F)CC1
InChIInChI=1S/C20H21FN4O3/c1-28-18-9-5-4-8-17(18)24-10-12-25(13-11-24)20(27)19(26)23-22-14-15-6-2-3-7-16(15)21/h2-9,14H,10-13H2,1H3,(H,23,26)/b22-14+
InChIKeyGEYFNRACGAEUHG-HYARGMPZSA-N
XLogP1.63
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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 N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (CID 6876733) is N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccccc2F)CC1.
What is the InChIKey of N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is GEYFNRACGAEUHG-HYARGMPZSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-28-18-9-5-4-8-17(18)24-10-12-25(13-11-24)20(27)19(26)23-22-14-15-6-2-3-7-16(15)21/h2-9,14H,10-13H2,1H3,(H,23,26)/b22-14+.
What are the key properties of N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 384.41 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 6876733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).