N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

C19H19Cl2FN4O — CID 170856300

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)N/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2FN4O/c20-15-2-1-14(18(21)11-15)12-23-24-19(27)13-25-7-9-26(10-8-25)17-5-3-16(22)4-6-17/h1-6,11-12H,7-10,13H2,(H,24,27)/b23-12+
InChIKeyWZUARZCUJHRWPH-FSJBWODESA-N
MW409.29 g/mol
LogP3.40
Rot. Bonds5

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 170856300) has the molecular formula C19H19Cl2FN4O and a molecular weight of 409.29 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID170856300
Molecular FormulaC19H19Cl2FN4O
Molecular Weight409.29 g/mol
Exact Mass408.09
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)N/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2FN4O/c20-15-2-1-14(18(21)11-15)12-23-24-19(27)13-25-7-9-26(10-8-25)17-5-3-16(22)4-6-17/h1-6,11-12H,7-10,13H2,(H,24,27)/b23-12+
InChIKeyWZUARZCUJHRWPH-FSJBWODESA-N
XLogP3.40
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5411350
N-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 7949022
N-(3-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 981650
N-(4-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704214
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
CID 6868355
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46162316
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 3330372
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 6084385
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide
CID 87019468
2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide
CID 126007489
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 3472016

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (CID 170856300) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccc(F)cc2)CC1)N/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is WZUARZCUJHRWPH-FSJBWODESA-N. The full InChI is InChI=1S/C19H19Cl2FN4O/c20-15-2-1-14(18(21)11-15)12-23-24-19(27)13-25-7-9-26(10-8-25)17-5-3-16(22)4-6-17/h1-6,11-12H,7-10,13H2,(H,24,27)/b23-12+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 409.29 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 170856300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).