4-[1-(2-chlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N-ethyl-2-fluorobenzamide

C24H23ClFN3O3 — CID 173039160

IUPAC4-[1-(2-chlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N-ethyl-2-fluorobenzamide
SMILESCCNC(=O)c1ccc(C(CC(=NO)c2ccc(=O)n(C)c2)c2ccccc2Cl)cc1F
InChIInChI=1S/C24H23ClFN3O3/c1-3-27-24(31)18-10-8-15(12-21(18)26)19(17-6-4-5-7-20(17)25)13-22(28-32)16-9-11-23(30)29(2)14-16/h4-12,14,19,32H,3,13H2,1-2H3,(H,27,31)
InChIKeyKFEOJFJUDFNLNW-UHFFFAOYSA-N
MW455.92 g/mol
LogP4.33
Rot. Bonds7

About 4-[1-(2-chlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N-ethyl-2-fluorobenzamide

4-[1-(2-chlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N-ethyl-2-fluorobenzamide (PubChem CID 173039160) has the molecular formula C24H23ClFN3O3 and a molecular weight of 455.92 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N-ethyl-2-fluorobenzamide
PubChem CID173039160
Molecular FormulaC24H23ClFN3O3
Molecular Weight455.92 g/mol
Exact Mass455.14
IUPAC Name4-[1-(2-chlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N-ethyl-2-fluorobenzamide
SMILESCCNC(=O)c1ccc(C(CC(=NO)c2ccc(=O)n(C)c2)c2ccccc2Cl)cc1F
InChIInChI=1S/C24H23ClFN3O3/c1-3-27-24(31)18-10-8-15(12-21(18)26)19(17-6-4-5-7-20(17)25)13-22(28-32)16-9-11-23(30)29(2)14-16/h4-12,14,19,32H,3,13H2,1-2H3,(H,27,31)
InChIKeyKFEOJFJUDFNLNW-UHFFFAOYSA-N
XLogP4.33
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.92
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[1-(2-chlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N-ethyl-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(2-chlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]-2-fluoro-N-(2-methoxyethyl)benzamide
CID 173006315
4-[(3E)-1-(2-chlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N-cyclohexyl-2-fluorobenzamide
CID 90339571
4-[1-(2-chlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 76671340
4-[4-[(1S)-1-(2,4-dichlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]phenyl]-2-fluorobenzoic acid
CID 173039089
4-[4-[(1S)-1-(4-chloro-2-fluorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]phenyl]-2-fluorobenzoic acid
CID 173039149
5-[(Z)-C-[2-(4-chloro-2-methylphenyl)-2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]-N-hydroxycarbonimidoyl]-1-methylpyridin-2-one
CID 86661135
4-[4-[(3Z)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)-1-(2-methylphenyl)propyl]phenyl]benzoic acid
CID 86661019
4-[4-[(1S,3E)-1-(2,4-dichlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]phenyl]-3-methylbenzoic acid
CID 58043180
methyl 2-[[4-[4-[(3E)-1-(4-fluoro-2-methylphenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]phenyl]benzoyl]amino]acetate
CID 58043274
5-[C-[2-(2-chlorophenyl)-2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-N-hydroxycarbonimidoyl]-1-methylpyridin-2-one
CID 76671418
5-[(E)-C-[2-(2-chlorophenyl)-2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-N-hydroxycarbonimidoyl]-1-methylpyridin-2-one
CID 58043258
5-[(Z)-C-[2-(4-chloro-2-fluorophenyl)-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-N-hydroxycarbonimidoyl]-1-methylpyridin-2-one
CID 86661134

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N-ethyl-2-fluorobenzamide?
The IUPAC name of 4-[1-(2-chlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N-ethyl-2-fluorobenzamide (CID 173039160) is 4-[1-(2-chlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for 4-[1-(2-chlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N-ethyl-2-fluorobenzamide?
The canonical SMILES for 4-[1-(2-chlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N-ethyl-2-fluorobenzamide is CCNC(=O)c1ccc(C(CC(=NO)c2ccc(=O)n(C)c2)c2ccccc2Cl)cc1F.
What is the InChIKey of 4-[1-(2-chlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N-ethyl-2-fluorobenzamide?
The InChIKey is KFEOJFJUDFNLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O3/c1-3-27-24(31)18-10-8-15(12-21(18)26)19(17-6-4-5-7-20(17)25)13-22(28-32)16-9-11-23(30)29(2)14-16/h4-12,14,19,32H,3,13H2,1-2H3,(H,27,31).
What are the key properties of 4-[1-(2-chlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N-ethyl-2-fluorobenzamide?
4-[1-(2-chlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N-ethyl-2-fluorobenzamide has a molecular weight of 455.92 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chlorophenyl)-3-hydroxyimino-3-(1-methyl-6-oxo-3-pyridinyl)propyl]-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 173039160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).