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Lidoflazine

C30H35F2N3O — CID 3926

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C30H35F2N3O/c1-22-5-3-6-23(2)30(22)33-29(36)21-35-19-17-34(18-20-35)16-4-7-28(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25/h3,5-6,8-15,28H,4,7,16-21H2,1-2H3,(H,33,36)
InChIKeyZBIAKUMOEKILTF-UHFFFAOYSA-N
MW491.63 g/mol
LogP5.75
Rot. Bonds9

About Lidoflazine

Lidoflazine (PubChem CID 3926) has the molecular formula C30H35F2N3O and a molecular weight of 491.63 g/mol. Its IUPAC name is 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound NameLidoflazine
PubChem CID3926
Molecular FormulaC30H35F2N3O
Molecular Weight491.63 g/mol
Exact Mass491.27
IUPAC Name2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C30H35F2N3O/c1-22-5-3-6-23(2)30(22)33-29(36)21-35-19-17-34(18-20-35)16-4-7-28(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25/h3,5-6,8-15,28H,4,7,16-21H2,1-2H3,(H,33,36)
InChIKeyZBIAKUMOEKILTF-UHFFFAOYSA-N
XLogP5.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.63
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Lidocaine
CID 3676
Bupivacaine (USAN:INN:BAN)
CID 2474
Cvt-2738
CID 2608606
2-((2,6-Dimethylphenyl)amino)-N,N,N-triethyl-2-oxoethanaminium
CID 3925
Denatonium
CID 15488
2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278179
N-Benzyl-4-(2-diphenyl)-1-piperazinehexanamide
CID 25107518
2-[4-(2-fluorophenyl)piperidin-1-yl]-N-(m-tolyl)acetamide
CID 10359019

Frequently Asked Questions

What is the IUPAC name of Lidoflazine?
The IUPAC name of Lidoflazine (CID 3926) is 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for Lidoflazine?
The canonical SMILES for Lidoflazine is Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of Lidoflazine?
The InChIKey is ZBIAKUMOEKILTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F2N3O/c1-22-5-3-6-23(2)30(22)33-29(36)21-35-19-17-34(18-20-35)16-4-7-28(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25/h3,5-6,8-15,28H,4,7,16-21H2,1-2H3,(H,33,36).
What are the key properties of Lidoflazine?
Lidoflazine has a molecular weight of 491.63 g/mol, XLogP of 5.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Lidoflazine is sourced from PubChem (CID 3926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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