N-[(E)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide

C15H20F2N4O — CID 6894556

IUPACN-[(E)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)N/N=C/c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H20F2N4O/c1-2-20-5-7-21(8-6-20)11-15(22)19-18-10-12-3-4-13(16)9-14(12)17/h3-4,9-10H,2,5-8,11H2,1H3,(H,19,22)/b18-10+
InChIKeyBTOMTSQQQYINNK-VCHYOVAHSA-N
MW310.35 g/mol
LogP1.05
Rot. Bonds5

About N-[(E)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide

N-[(E)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide (PubChem CID 6894556) has the molecular formula C15H20F2N4O and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[(E)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide
PubChem CID6894556
Molecular FormulaC15H20F2N4O
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC NameN-[(E)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)N/N=C/c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H20F2N4O/c1-2-20-5-7-21(8-6-20)11-15(22)19-18-10-12-3-4-13(16)9-14(12)17/h3-4,9-10H,2,5-8,11H2,1H3,(H,19,22)/b18-10+
InChIKeyBTOMTSQQQYINNK-VCHYOVAHSA-N
XLogP1.05
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.05
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(E)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide (CID 6894556) is N-[(E)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(E)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide is CCN1CCN(CC(=O)N/N=C/c2ccc(F)cc2F)CC1.
What is the InChIKey of N-[(E)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide?
The InChIKey is BTOMTSQQQYINNK-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H20F2N4O/c1-2-20-5-7-21(8-6-20)11-15(22)19-18-10-12-3-4-13(16)9-14(12)17/h3-4,9-10H,2,5-8,11H2,1H3,(H,19,22)/b18-10+.
What are the key properties of N-[(E)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide?
N-[(E)-(2,4-difluorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 1.05, 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-difluorophenyl)methylideneamino]-2-(4-ethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 6894556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).