N-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-N'-phenyloxazinane-2-carboximidamide

C25H25FN4O — CID 54033319

IUPACN-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-N'-phenyloxazinane-2-carboximidamide
SMILESCc1ccccc1C(=N/C(=N/c1ccccc1)N1CCCCO1)Nc1ccc(F)cc1
InChIInChI=1S/C25H25FN4O/c1-19-9-5-6-12-23(19)24(27-22-15-13-20(26)14-16-22)29-25(30-17-7-8-18-31-30)28-21-10-3-2-4-11-21/h2-6,9-16H,7-8,17-18H2,1H3,(H,27,28,29)
InChIKeyLHDRCZABRTZEMY-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.71
Rot. Bonds3

About N-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-N'-phenyloxazinane-2-carboximidamide

N-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-N'-phenyloxazinane-2-carboximidamide (PubChem CID 54033319) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-N'-phenyloxazinane-2-carboximidamide.

Molecular Properties

Compound NameN-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-N'-phenyloxazinane-2-carboximidamide
PubChem CID54033319
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC NameN-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-N'-phenyloxazinane-2-carboximidamide
SMILESCc1ccccc1C(=N/C(=N/c1ccccc1)N1CCCCO1)Nc1ccc(F)cc1
InChIInChI=1S/C25H25FN4O/c1-19-9-5-6-12-23(19)24(27-22-15-13-20(26)14-16-22)29-25(30-17-7-8-18-31-30)28-21-10-3-2-4-11-21/h2-6,9-16H,7-8,17-18H2,1H3,(H,27,28,29)
InChIKeyLHDRCZABRTZEMY-UHFFFAOYSA-N
XLogP5.71
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)oxazinane-2-carboximidamide
CID 22388695
N-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-4-oxo-N'-phenylpiperidine-1-carboximidamide
CID 54201843
(NZ)-N-[anilino-(2-methylphenyl)methylidene]-N'-phenylpyrrolidine-1-carboximidamide
CID 22388670
(NZ)-N-[(2,6-difluorophenyl)-(4-fluoroanilino)methylidene]-N'-phenylazepane-1-carboximidamide
CID 87976890
(NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)-2-methylpiperidine-1-carboximidamide
CID 22388606
(NE)-N'-(4-aminophenyl)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-2-methylpiperidine-1-carboximidamide
CID 22388621
N-[anilino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide
CID 54284526
N'-(2-chlorophenyl)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-2-methylpiperidine-1-carboximidamide
CID 54421533
N-[(4-methoxyanilino)-phenylmethylidene]-N'-phenylazepane-1-carboximidamide
CID 54036187
(NE)-N-[(2,6-dimethylphenyl)-[4-(trifluoromethoxy)anilino]methylidene]-2-methyl-N'-phenylpiperidine-1-carboximidamide
CID 22388612
[2-(4-fluoroanilino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate
CID 9423322
N'-(4-methylphenyl)-N-phenylpiperidine-1-carboximidamide
CID 138974908

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-N'-phenyloxazinane-2-carboximidamide?
The IUPAC name of N-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-N'-phenyloxazinane-2-carboximidamide (CID 54033319) is N-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-N'-phenyloxazinane-2-carboximidamide.
What is the SMILES notation for N-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-N'-phenyloxazinane-2-carboximidamide?
The canonical SMILES for N-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-N'-phenyloxazinane-2-carboximidamide is Cc1ccccc1C(=N/C(=N/c1ccccc1)N1CCCCO1)Nc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-N'-phenyloxazinane-2-carboximidamide?
The InChIKey is LHDRCZABRTZEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c1-19-9-5-6-12-23(19)24(27-22-15-13-20(26)14-16-22)29-25(30-17-7-8-18-31-30)28-21-10-3-2-4-11-21/h2-6,9-16H,7-8,17-18H2,1H3,(H,27,28,29).
What are the key properties of N-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-N'-phenyloxazinane-2-carboximidamide?
N-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-N'-phenyloxazinane-2-carboximidamide has a molecular weight of 416.50 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-N'-phenyloxazinane-2-carboximidamide is sourced from PubChem (CID 54033319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).