N-[1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]-N-(4-fluorophenyl)-2-oxoethanimidamide

C19H19FN2O3 — CID 89098402

IUPACN-[1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]-N-(4-fluorophenyl)-2-oxoethanimidamide
SMILES[H]/N=C(\C=O)N(C(=C)c1cc(C(C)C)c(O)cc1O)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3/c1-11(2)15-8-16(18(25)9-17(15)24)12(3)22(19(21)10-23)14-6-4-13(20)5-7-14/h4-11,21,24-25H,3H2,1-2H3/b21-19+
InChIKeyZGUMRPNZYVCYSM-XUTLUUPISA-N
MW342.37 g/mol
LogP4.01
Rot. Bonds5

About N-[1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]-N-(4-fluorophenyl)-2-oxoethanimidamide

N-[1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]-N-(4-fluorophenyl)-2-oxoethanimidamide (PubChem CID 89098402) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]-N-(4-fluorophenyl)-2-oxoethanimidamide.

Molecular Properties

Compound NameN-[1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]-N-(4-fluorophenyl)-2-oxoethanimidamide
PubChem CID89098402
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]-N-(4-fluorophenyl)-2-oxoethanimidamide
SMILES[H]/N=C(\C=O)N(C(=C)c1cc(C(C)C)c(O)cc1O)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O3/c1-11(2)15-8-16(18(25)9-17(15)24)12(3)22(19(21)10-23)14-6-4-13(20)5-7-14/h4-11,21,24-25H,3H2,1-2H3/b21-19+
InChIKeyZGUMRPNZYVCYSM-XUTLUUPISA-N
XLogP4.01
TPSA84.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]-N-(4-fluorophenyl)-2-oxoethanimidamide?
The IUPAC name of N-[1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]-N-(4-fluorophenyl)-2-oxoethanimidamide (CID 89098402) is N-[1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]-N-(4-fluorophenyl)-2-oxoethanimidamide.
What is the SMILES notation for N-[1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]-N-(4-fluorophenyl)-2-oxoethanimidamide?
The canonical SMILES for N-[1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]-N-(4-fluorophenyl)-2-oxoethanimidamide is [H]/N=C(\C=O)N(C(=C)c1cc(C(C)C)c(O)cc1O)c1ccc(F)cc1.
What is the InChIKey of N-[1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]-N-(4-fluorophenyl)-2-oxoethanimidamide?
The InChIKey is ZGUMRPNZYVCYSM-XUTLUUPISA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-11(2)15-8-16(18(25)9-17(15)24)12(3)22(19(21)10-23)14-6-4-13(20)5-7-14/h4-11,21,24-25H,3H2,1-2H3/b21-19+.
What are the key properties of N-[1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]-N-(4-fluorophenyl)-2-oxoethanimidamide?
N-[1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]-N-(4-fluorophenyl)-2-oxoethanimidamide has a molecular weight of 342.37 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethenyl]-N-(4-fluorophenyl)-2-oxoethanimidamide is sourced from PubChem (CID 89098402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).