2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide

C23H19Cl2N3O3 — CID 23094897

IUPAC2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C23H19Cl2N3O3/c1-15(27-28-22(29)14-31-19-12-8-17(24)9-13-19)16-6-10-18(11-7-16)26-23(30)20-4-2-3-5-21(20)25/h2-13H,14H2,1H3,(H,26,30)(H,28,29)/b27-15+
InChIKeyOKXLEQWPYCJAHN-JFLMPSFJSA-N
MW456.33 g/mol
LogP5.16
Rot. Bonds7

About 2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide

2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide (PubChem CID 23094897) has the molecular formula C23H19Cl2N3O3 and a molecular weight of 456.33 g/mol. Its IUPAC name is 2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
PubChem CID23094897
Molecular FormulaC23H19Cl2N3O3
Molecular Weight456.33 g/mol
Exact Mass455.08
IUPAC Name2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C23H19Cl2N3O3/c1-15(27-28-22(29)14-31-19-12-8-17(24)9-13-19)16-6-10-18(11-7-16)26-23(30)20-4-2-3-5-21(20)25/h2-13H,14H2,1H3,(H,26,30)(H,28,29)/b27-15+
InChIKeyOKXLEQWPYCJAHN-JFLMPSFJSA-N
XLogP5.16
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.33
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2,4-dichloro-N-[4-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 3688063
2-(4-chlorophenyl)-N-[4-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]acetamide
CID 4151091
2-chloro-N-[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide
CID 19644954
N-[4-[(Z)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2,2,2-trifluoroacetamide
CID 6271601
4-chloro-N-[3-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 5007184
4-chloro-N-[3-[(Z)-C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 6246372
2,4-dichloro-N-[4-[N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 3645170
4-chloro-N-[4-[C-methyl-N-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]carbonimidoyl]phenyl]benzamide
CID 3417059
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
N-[4-[(Z)-N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
CID 5433101
N-[1-[4-[(2-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-phenoxyacetamide
CID 5183598
N,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide
CID 3404914

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide (CID 23094897) is 2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide is C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide?
The InChIKey is OKXLEQWPYCJAHN-JFLMPSFJSA-N. The full InChI is InChI=1S/C23H19Cl2N3O3/c1-15(27-28-22(29)14-31-19-12-8-17(24)9-13-19)16-6-10-18(11-7-16)26-23(30)20-4-2-3-5-21(20)25/h2-13H,14H2,1H3,(H,26,30)(H,28,29)/b27-15+.
What are the key properties of 2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide?
2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide has a molecular weight of 456.33 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 23094897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).