N-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-fluorobenzamide

C13H15FN2O — CID 142587351

IUPACN-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-fluorobenzamide
SMILESCC/C=C\C(=N/C)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O/c1-3-4-5-12(15-2)16-13(17)10-6-8-11(14)9-7-10/h4-9H,3H2,1-2H3,(H,15,16,17)/b5-4-
InChIKeySJKUKRIEEGBUME-PLNGDYQASA-N
MW234.27 g/mol
LogP2.55
Rot. Bonds3

About N-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-fluorobenzamide

N-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-fluorobenzamide (PubChem CID 142587351) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is N-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-fluorobenzamide
PubChem CID142587351
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC NameN-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-fluorobenzamide
SMILESCC/C=C\C(=N/C)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O/c1-3-4-5-12(15-2)16-13(17)10-6-8-11(14)9-7-10/h4-9H,3H2,1-2H3,(H,15,16,17)/b5-4-
InChIKeySJKUKRIEEGBUME-PLNGDYQASA-N
XLogP2.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of N-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-fluorobenzamide?
The IUPAC name of N-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-fluorobenzamide (CID 142587351) is N-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-fluorobenzamide.
What is the SMILES notation for N-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-fluorobenzamide?
The canonical SMILES for N-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-fluorobenzamide is CC/C=C\C(=N/C)NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-fluorobenzamide?
The InChIKey is SJKUKRIEEGBUME-PLNGDYQASA-N. The full InChI is InChI=1S/C13H15FN2O/c1-3-4-5-12(15-2)16-13(17)10-6-8-11(14)9-7-10/h4-9H,3H2,1-2H3,(H,15,16,17)/b5-4-.
What are the key properties of N-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-fluorobenzamide?
N-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-fluorobenzamide has a molecular weight of 234.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]-4-fluorobenzamide is sourced from PubChem (CID 142587351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).