(Z)-2-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-N,3-dimethylpent-2-enamide

C15H19FN2O — CID 123544930

IUPAC(Z)-2-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-N,3-dimethylpent-2-enamide
SMILESCC/C(C)=C(C(=O)NC)/C(=N/C)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O/c1-5-10(2)13(15(19)18-4)14(17-3)11-6-8-12(16)9-7-11/h6-9H,5H2,1-4H3,(H,18,19)/b13-10-,17-14+
InChIKeyJXVKDEQOANEZKY-ICMDQPEBSA-N
MW262.33 g/mol
LogP2.72
Rot. Bonds4

About (Z)-2-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-N,3-dimethylpent-2-enamide

(Z)-2-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-N,3-dimethylpent-2-enamide (PubChem CID 123544930) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is (Z)-2-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-N,3-dimethylpent-2-enamide.

Molecular Properties

Compound Name(Z)-2-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-N,3-dimethylpent-2-enamide
PubChem CID123544930
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name(Z)-2-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-N,3-dimethylpent-2-enamide
SMILESCC/C(C)=C(C(=O)NC)/C(=N/C)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O/c1-5-10(2)13(15(19)18-4)14(17-3)11-6-8-12(16)9-7-11/h6-9H,5H2,1-4H3,(H,18,19)/b13-10-,17-14+
InChIKeyJXVKDEQOANEZKY-ICMDQPEBSA-N
XLogP2.72
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-3-phenylpyrazine
CID 155966
(2Z)-2-(hydroxyimino)-N-methyl-2-phenylethanamide
CID 6401229
4-[(4-Fluoro-phenyl)-imino-methyl]-2,5-dimethyl-2H-pyrazol-3-ol
CID 136044088
4-[(3-Fluoro-phenyl)-imino-methyl]-2,5-dimethyl-2H-pyrazol-3-ol
CID 136044096
4-(N-hexyl-C-phenylcarbonimidoyl)-3-hydroxy-1,2-dihydropyrrol-5-one
CID 136502338
3-(4-Fluoro-2-methylphenyl)-5,6-dihydropyrazin-2(1H)-one
CID 22037146
2-methoxyimino-N-methyl-2-phenylacetamide
CID 54556800
3-(3-fluorophenyl)-N-methylpropanamide
CID 18784292
3-(4-Fluorophenyl)-5,6-dihydro-2(1H)-pyrazinone
CID 22037113
3-(4-fluorophenyl)-N-methylpropanamide
CID 22113929
4-(4-fluorophenyl)-N-methylbutyramide
CID 23512824
N,N-diethyl-4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 53307904

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-N,3-dimethylpent-2-enamide?
The IUPAC name of (Z)-2-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-N,3-dimethylpent-2-enamide (CID 123544930) is (Z)-2-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-N,3-dimethylpent-2-enamide.
What is the SMILES notation for (Z)-2-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-N,3-dimethylpent-2-enamide?
The canonical SMILES for (Z)-2-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-N,3-dimethylpent-2-enamide is CC/C(C)=C(C(=O)NC)/C(=N/C)c1ccc(F)cc1.
What is the InChIKey of (Z)-2-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-N,3-dimethylpent-2-enamide?
The InChIKey is JXVKDEQOANEZKY-ICMDQPEBSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-5-10(2)13(15(19)18-4)14(17-3)11-6-8-12(16)9-7-11/h6-9H,5H2,1-4H3,(H,18,19)/b13-10-,17-14+.
What are the key properties of (Z)-2-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-N,3-dimethylpent-2-enamide?
(Z)-2-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-N,3-dimethylpent-2-enamide has a molecular weight of 262.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-N,3-dimethylpent-2-enamide is sourced from PubChem (CID 123544930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).