N-[(Z)-ethylideneamino]-N-[2-(4-fluorophenyl)-2-oxoethyl]methanimidamide

C11H12FN3O — CID 172985565

IUPACN-[(Z)-ethylideneamino]-N-[2-(4-fluorophenyl)-2-oxoethyl]methanimidamide
SMILES[H]/N=C/N(CC(=O)c1ccc(F)cc1)/N=C\C
InChIInChI=1S/C11H12FN3O/c1-2-14-15(8-13)7-11(16)9-3-5-10(12)6-4-9/h2-6,8,13H,7H2,1H3/b13-8+,14-2-
InChIKeyFTLVJVWZUHLGOK-HIQMYWJOSA-N
MW221.24 g/mol
LogP1.92
Rot. Bonds5

About N-[(Z)-ethylideneamino]-N-[2-(4-fluorophenyl)-2-oxoethyl]methanimidamide

N-[(Z)-ethylideneamino]-N-[2-(4-fluorophenyl)-2-oxoethyl]methanimidamide (PubChem CID 172985565) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is N-[(Z)-ethylideneamino]-N-[2-(4-fluorophenyl)-2-oxoethyl]methanimidamide.

Molecular Properties

Compound NameN-[(Z)-ethylideneamino]-N-[2-(4-fluorophenyl)-2-oxoethyl]methanimidamide
PubChem CID172985565
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC NameN-[(Z)-ethylideneamino]-N-[2-(4-fluorophenyl)-2-oxoethyl]methanimidamide
SMILES[H]/N=C/N(CC(=O)c1ccc(F)cc1)/N=C\C
InChIInChI=1S/C11H12FN3O/c1-2-14-15(8-13)7-11(16)9-3-5-10(12)6-4-9/h2-6,8,13H,7H2,1H3/b13-8+,14-2-
InChIKeyFTLVJVWZUHLGOK-HIQMYWJOSA-N
XLogP1.92
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-ethylideneamino]-N-[2-(4-fluorophenyl)-2-oxoethyl]methanimidamide?
The IUPAC name of N-[(Z)-ethylideneamino]-N-[2-(4-fluorophenyl)-2-oxoethyl]methanimidamide (CID 172985565) is N-[(Z)-ethylideneamino]-N-[2-(4-fluorophenyl)-2-oxoethyl]methanimidamide.
What is the SMILES notation for N-[(Z)-ethylideneamino]-N-[2-(4-fluorophenyl)-2-oxoethyl]methanimidamide?
The canonical SMILES for N-[(Z)-ethylideneamino]-N-[2-(4-fluorophenyl)-2-oxoethyl]methanimidamide is [H]/N=C/N(CC(=O)c1ccc(F)cc1)/N=C\C.
What is the InChIKey of N-[(Z)-ethylideneamino]-N-[2-(4-fluorophenyl)-2-oxoethyl]methanimidamide?
The InChIKey is FTLVJVWZUHLGOK-HIQMYWJOSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-2-14-15(8-13)7-11(16)9-3-5-10(12)6-4-9/h2-6,8,13H,7H2,1H3/b13-8+,14-2-.
What are the key properties of N-[(Z)-ethylideneamino]-N-[2-(4-fluorophenyl)-2-oxoethyl]methanimidamide?
N-[(Z)-ethylideneamino]-N-[2-(4-fluorophenyl)-2-oxoethyl]methanimidamide has a molecular weight of 221.24 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-ethylideneamino]-N-[2-(4-fluorophenyl)-2-oxoethyl]methanimidamide is sourced from PubChem (CID 172985565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).