N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide

C14H18F2N4O — CID 5406234

IUPACN-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)N/N=C\c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H18F2N4O/c1-19-4-6-20(7-5-19)10-14(21)18-17-9-11-2-3-12(15)13(16)8-11/h2-3,8-9H,4-7,10H2,1H3,(H,18,21)/b17-9-
InChIKeyOFDMCLUZLXSPPM-MFOYZWKCSA-N
MW296.32 g/mol
LogP0.66
Rot. Bonds4

About N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide

N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 5406234) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID5406234
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC NameN-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)N/N=C\c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H18F2N4O/c1-19-4-6-20(7-5-19)10-14(21)18-17-9-11-2-3-12(15)13(16)8-11/h2-3,8-9H,4-7,10H2,1H3,(H,18,21)/b17-9-
InChIKeyOFDMCLUZLXSPPM-MFOYZWKCSA-N
XLogP0.66
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.66
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-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 170856208
N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 1235303
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
CID 6868355
N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
CID 5407042
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide
CID 1383029
2-(azepan-1-yl)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 786204
2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 786188
N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide
CID 682337
2-(4-ethylpiperazin-1-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 5331709
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
CID 6893322
N-[(E)-(3,4-difluorophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 6902043
N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide
CID 791586

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide (CID 5406234) is N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)N/N=C\c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is OFDMCLUZLXSPPM-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-19-4-6-20(7-5-19)10-14(21)18-17-9-11-2-3-12(15)13(16)8-11/h2-3,8-9H,4-7,10H2,1H3,(H,18,21)/b17-9-.
What are the key properties of N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide?
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 296.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 5406234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).