4-[C-[(3,5-dichlorophenyl)methyl]-N-methylcarbonimidoyl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide

C22H23Cl2N3O3 — CID 145017275

IUPAC4-[C-[(3,5-dichlorophenyl)methyl]-N-methylcarbonimidoyl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide
SMILESCCN1OCC(NC(=O)c2ccc(/C(Cc3cc(Cl)cc(Cl)c3)=N\C)cc2C)C1=O
InChIInChI=1S/C22H23Cl2N3O3/c1-4-27-22(29)20(12-30-27)26-21(28)18-6-5-15(7-13(18)2)19(25-3)10-14-8-16(23)11-17(24)9-14/h5-9,11,20H,4,10,12H2,1-3H3,(H,26,28)/b25-19-
InChIKeyFZRHZEPEGUQNFY-PLRJNAJWSA-N
MW448.35 g/mol
LogP3.86
Rot. Bonds6

About 4-[C-[(3,5-dichlorophenyl)methyl]-N-methylcarbonimidoyl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide

4-[C-[(3,5-dichlorophenyl)methyl]-N-methylcarbonimidoyl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide (PubChem CID 145017275) has the molecular formula C22H23Cl2N3O3 and a molecular weight of 448.35 g/mol. Its IUPAC name is 4-[C-[(3,5-dichlorophenyl)methyl]-N-methylcarbonimidoyl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide.

Molecular Properties

Compound Name4-[C-[(3,5-dichlorophenyl)methyl]-N-methylcarbonimidoyl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide
PubChem CID145017275
Molecular FormulaC22H23Cl2N3O3
Molecular Weight448.35 g/mol
Exact Mass447.11
IUPAC Name4-[C-[(3,5-dichlorophenyl)methyl]-N-methylcarbonimidoyl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide
SMILESCCN1OCC(NC(=O)c2ccc(/C(Cc3cc(Cl)cc(Cl)c3)=N\C)cc2C)C1=O
InChIInChI=1S/C22H23Cl2N3O3/c1-4-27-22(29)20(12-30-27)26-21(28)18-6-5-15(7-13(18)2)19(25-3)10-14-8-16(23)11-17(24)9-14/h5-9,11,20H,4,10,12H2,1-3H3,(H,26,28)/b25-19-
InChIKeyFZRHZEPEGUQNFY-PLRJNAJWSA-N
XLogP3.86
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide
CID 67247896
4-[(Z)-3-(3,5-dichloro-4-fluorophenyl)but-2-enoyl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide
CID 130286811
4-[(E)-3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluorobut-2-enoyl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide
CID 130288763
4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide
CID 89253503
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide
CID 123746720
4-[5-(3,5-dichloro-4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide
CID 145352083
N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]acetamide
CID 163892364
4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-(2-ethoxyacetyl)-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;4-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide;2-ethoxyacetyl chloride
CID 167645259
4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-3-oxo-2-(3-phenylpropyl)-1,2-oxazolidin-4-yl]benzamide
CID 155653975
4-[(5S)-5-[(2E,4E)-4,6-dichlorohexa-2,4-dien-2-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide
CID 163413146
6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4-methyl-N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]pyridine-3-carboxamide
CID 87323758
4-[(5S)-5-(3,5-dichlorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide
CID 129167475

Frequently Asked Questions

What is the IUPAC name of 4-[C-[(3,5-dichlorophenyl)methyl]-N-methylcarbonimidoyl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide?
The IUPAC name of 4-[C-[(3,5-dichlorophenyl)methyl]-N-methylcarbonimidoyl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide (CID 145017275) is 4-[C-[(3,5-dichlorophenyl)methyl]-N-methylcarbonimidoyl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide.
What is the SMILES notation for 4-[C-[(3,5-dichlorophenyl)methyl]-N-methylcarbonimidoyl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide?
The canonical SMILES for 4-[C-[(3,5-dichlorophenyl)methyl]-N-methylcarbonimidoyl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide is CCN1OCC(NC(=O)c2ccc(/C(Cc3cc(Cl)cc(Cl)c3)=N\C)cc2C)C1=O.
What is the InChIKey of 4-[C-[(3,5-dichlorophenyl)methyl]-N-methylcarbonimidoyl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide?
The InChIKey is FZRHZEPEGUQNFY-PLRJNAJWSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3/c1-4-27-22(29)20(12-30-27)26-21(28)18-6-5-15(7-13(18)2)19(25-3)10-14-8-16(23)11-17(24)9-14/h5-9,11,20H,4,10,12H2,1-3H3,(H,26,28)/b25-19-.
What are the key properties of 4-[C-[(3,5-dichlorophenyl)methyl]-N-methylcarbonimidoyl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide?
4-[C-[(3,5-dichlorophenyl)methyl]-N-methylcarbonimidoyl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide has a molecular weight of 448.35 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[C-[(3,5-dichlorophenyl)methyl]-N-methylcarbonimidoyl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide is sourced from PubChem (CID 145017275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).