2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4,5-difluoro-N-phenylbenzamide

C19H20F2N4O — CID 71627324

IUPAC2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4,5-difluoro-N-phenylbenzamide
SMILESCN1CCN(C)/C(=N\c2cc(F)c(F)cc2C(=O)Nc2ccccc2)C1
InChIInChI=1S/C19H20F2N4O/c1-24-8-9-25(2)18(12-24)23-17-11-16(21)15(20)10-14(17)19(26)22-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,26)/b23-18-
InChIKeyHHWQACWELJHXAV-NKFKGCMQSA-N
MW358.39 g/mol
LogP3.12
Rot. Bonds3

About 2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4,5-difluoro-N-phenylbenzamide

2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4,5-difluoro-N-phenylbenzamide (PubChem CID 71627324) has the molecular formula C19H20F2N4O and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4,5-difluoro-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4,5-difluoro-N-phenylbenzamide
PubChem CID71627324
Molecular FormulaC19H20F2N4O
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC Name2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4,5-difluoro-N-phenylbenzamide
SMILESCN1CCN(C)/C(=N\c2cc(F)c(F)cc2C(=O)Nc2ccccc2)C1
InChIInChI=1S/C19H20F2N4O/c1-24-8-9-25(2)18(12-24)23-17-11-16(21)15(20)10-14(17)19(26)22-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,26)/b23-18-
InChIKeyHHWQACWELJHXAV-NKFKGCMQSA-N
XLogP3.12
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4,5-difluoro-N-phenylbenzamide?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4,5-difluoro-N-phenylbenzamide (CID 71627324) is 2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4,5-difluoro-N-phenylbenzamide.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4,5-difluoro-N-phenylbenzamide?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4,5-difluoro-N-phenylbenzamide is CN1CCN(C)/C(=N\c2cc(F)c(F)cc2C(=O)Nc2ccccc2)C1.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4,5-difluoro-N-phenylbenzamide?
The InChIKey is HHWQACWELJHXAV-NKFKGCMQSA-N. The full InChI is InChI=1S/C19H20F2N4O/c1-24-8-9-25(2)18(12-24)23-17-11-16(21)15(20)10-14(17)19(26)22-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,26)/b23-18-.
What are the key properties of 2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4,5-difluoro-N-phenylbenzamide?
2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4,5-difluoro-N-phenylbenzamide has a molecular weight of 358.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-ylidene)amino]-4,5-difluoro-N-phenylbenzamide is sourced from PubChem (CID 71627324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).