N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide

C17H17FN2O2 — CID 5052209

IUPACN-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)NN=Cc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O2/c1-12(2)22-16-6-4-3-5-15(16)17(21)20-19-11-13-7-9-14(18)10-8-13/h3-12H,1-2H3,(H,20,21)
InChIKeyZOZBGWMPRGKLSS-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.38
Rot. Bonds5

About N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide

N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide (PubChem CID 5052209) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide
PubChem CID5052209
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)NN=Cc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O2/c1-12(2)22-16-6-4-3-5-15(16)17(21)20-19-11-13-7-9-14(18)10-8-13/h3-12H,1-2H3,(H,20,21)
InChIKeyZOZBGWMPRGKLSS-UHFFFAOYSA-N
XLogP3.38
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110505830
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-propan-2-yloxybenzamide
CID 6245447
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide
CID 6266401
4-fluoro-N-[(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 841414
2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 19061065
4-fluoro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5412153
N-[(E)-(4-fluorophenyl)methylideneamino]-2-hydroxy-3-methoxybenzamide
CID 24773718
N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide
CID 5001701
2-chloro-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509304
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-chlorobenzamide
CID 110509270

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide?
The IUPAC name of N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide (CID 5052209) is N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide is CC(C)Oc1ccccc1C(=O)NN=Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide?
The InChIKey is ZOZBGWMPRGKLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12(2)22-16-6-4-3-5-15(16)17(21)20-19-11-13-7-9-14(18)10-8-13/h3-12H,1-2H3,(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide?
N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide has a molecular weight of 300.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 5052209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).