N-(2,6-difluorophenyl)-2-imino-4-[[2-(2-methylpropoxy)phenyl]methylimino]butanamide

C21H23F2N3O2 — CID 91299722

IUPACN-(2,6-difluorophenyl)-2-imino-4-[[2-(2-methylpropoxy)phenyl]methylimino]butanamide
SMILES[H]/N=C(\C/C=N/Cc1ccccc1OCC(C)C)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C21H23F2N3O2/c1-14(2)13-28-19-9-4-3-6-15(19)12-25-11-10-18(24)21(27)26-20-16(22)7-5-8-17(20)23/h3-9,11,14,24H,10,12-13H2,1-2H3,(H,26,27)/b24-18+,25-11+
InChIKeyUFCIQZOQEOMMCK-HCYZVQQRSA-N
MW387.43 g/mol
LogP4.62
Rot. Bonds9

About N-(2,6-difluorophenyl)-2-imino-4-[[2-(2-methylpropoxy)phenyl]methylimino]butanamide

N-(2,6-difluorophenyl)-2-imino-4-[[2-(2-methylpropoxy)phenyl]methylimino]butanamide (PubChem CID 91299722) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-imino-4-[[2-(2-methylpropoxy)phenyl]methylimino]butanamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-imino-4-[[2-(2-methylpropoxy)phenyl]methylimino]butanamide
PubChem CID91299722
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC NameN-(2,6-difluorophenyl)-2-imino-4-[[2-(2-methylpropoxy)phenyl]methylimino]butanamide
SMILES[H]/N=C(\C/C=N/Cc1ccccc1OCC(C)C)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C21H23F2N3O2/c1-14(2)13-28-19-9-4-3-6-15(19)12-25-11-10-18(24)21(27)26-20-16(22)7-5-8-17(20)23/h3-9,11,14,24H,10,12-13H2,1-2H3,(H,26,27)/b24-18+,25-11+
InChIKeyUFCIQZOQEOMMCK-HCYZVQQRSA-N
XLogP4.62
TPSA74.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(2,6-difluorophenyl)-2-imino-4-[[2-(2-methylpropoxy)phenyl]methylimino]butanamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-imino-4-[[2-(2-methylpropoxy)phenyl]methylimino]butanamide (CID 91299722) is N-(2,6-difluorophenyl)-2-imino-4-[[2-(2-methylpropoxy)phenyl]methylimino]butanamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-imino-4-[[2-(2-methylpropoxy)phenyl]methylimino]butanamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-imino-4-[[2-(2-methylpropoxy)phenyl]methylimino]butanamide is [H]/N=C(\C/C=N/Cc1ccccc1OCC(C)C)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-imino-4-[[2-(2-methylpropoxy)phenyl]methylimino]butanamide?
The InChIKey is UFCIQZOQEOMMCK-HCYZVQQRSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c1-14(2)13-28-19-9-4-3-6-15(19)12-25-11-10-18(24)21(27)26-20-16(22)7-5-8-17(20)23/h3-9,11,14,24H,10,12-13H2,1-2H3,(H,26,27)/b24-18+,25-11+.
What are the key properties of N-(2,6-difluorophenyl)-2-imino-4-[[2-(2-methylpropoxy)phenyl]methylimino]butanamide?
N-(2,6-difluorophenyl)-2-imino-4-[[2-(2-methylpropoxy)phenyl]methylimino]butanamide has a molecular weight of 387.43 g/mol, XLogP of 4.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-imino-4-[[2-(2-methylpropoxy)phenyl]methylimino]butanamide is sourced from PubChem (CID 91299722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).