N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide

C18H19FN2O — CID 5112847

IUPACN-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide
SMILESCC(=NNC(=O)c1ccc(C(C)C)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O/c1-12(2)14-4-6-16(7-5-14)18(22)21-20-13(3)15-8-10-17(19)11-9-15/h4-12H,1-3H3,(H,21,22)
InChIKeyULWWIUPNHMVCGY-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.10
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide

N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide (PubChem CID 5112847) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide
PubChem CID5112847
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC NameN-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide
SMILESCC(=NNC(=O)c1ccc(C(C)C)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O/c1-12(2)14-4-6-16(7-5-14)18(22)21-20-13(3)15-8-10-17(19)11-9-15/h4-12H,1-3H3,(H,21,22)
InChIKeyULWWIUPNHMVCGY-UHFFFAOYSA-N
XLogP4.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
CID 6183873
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide
CID 4131322
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
4-fluoro-N-(propan-2-ylideneamino)benzamide
CID 847533
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-propan-2-ylbenzamide
CID 3616395
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide
CID 6089848
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
(2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6940689
N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
CID 4123308
4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670865

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide (CID 5112847) is N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide is CC(=NNC(=O)c1ccc(C(C)C)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide?
The InChIKey is ULWWIUPNHMVCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-12(2)14-4-6-16(7-5-14)18(22)21-20-13(3)15-8-10-17(19)11-9-15/h4-12H,1-3H3,(H,21,22).
What are the key properties of N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide?
N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide has a molecular weight of 298.36 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide is sourced from PubChem (CID 5112847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).