N-[(2Z)-2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide

C16H14ClFN2O2 — CID 21157516

IUPACN-[(2Z)-2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide
SMILESCO/N=C(\CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClFN2O2/c1-22-20-15(11-2-6-13(17)7-3-11)10-19-16(21)12-4-8-14(18)9-5-12/h2-9H,10H2,1H3,(H,19,21)/b20-15+
InChIKeyIKNJLNKZDJMVDY-HMMYKYKNSA-N
MW320.75 g/mol
LogP3.26
Rot. Bonds5

About N-[(2Z)-2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide

N-[(2Z)-2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide (PubChem CID 21157516) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is N-[(2Z)-2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2Z)-2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide
PubChem CID21157516
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC NameN-[(2Z)-2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide
SMILESCO/N=C(\CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClFN2O2/c1-22-20-15(11-2-6-13(17)7-3-11)10-19-16(21)12-4-8-14(18)9-5-12/h2-9H,10H2,1H3,(H,19,21)/b20-15+
InChIKeyIKNJLNKZDJMVDY-HMMYKYKNSA-N
XLogP3.26
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7899184
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701327
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877892
2-[(4-chlorobenzoyl)amino]acetyl chloride
CID 14545092
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate
CID 15416041
methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 9049144
4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 17426344
(2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate
CID 110670281

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide?
The IUPAC name of N-[(2Z)-2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide (CID 21157516) is N-[(2Z)-2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(2Z)-2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[(2Z)-2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide is CO/N=C(\CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(2Z)-2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide?
The InChIKey is IKNJLNKZDJMVDY-HMMYKYKNSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c1-22-20-15(11-2-6-13(17)7-3-11)10-19-16(21)12-4-8-14(18)9-5-12/h2-9H,10H2,1H3,(H,19,21)/b20-15+.
What are the key properties of N-[(2Z)-2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide?
N-[(2Z)-2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide has a molecular weight of 320.75 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide is sourced from PubChem (CID 21157516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).