N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]oxamide

C24H20Cl2FN3O4 — CID 19658767

IUPACN-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]oxamide
SMILESCCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C24H20Cl2FN3O4/c1-2-33-22-11-15(7-10-21(22)34-14-16-5-3-4-6-18(16)25)13-28-30-24(32)23(31)29-17-8-9-20(27)19(26)12-17/h3-13H,2,14H2,1H3,(H,29,31)(H,30,32)/b28-13+
InChIKeyYCYMDCBRLXCPHR-XODNFHPESA-N
MW504.35 g/mol
LogP5.20
Rot. Bonds8

About N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]oxamide

N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]oxamide (PubChem CID 19658767) has the molecular formula C24H20Cl2FN3O4 and a molecular weight of 504.35 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]oxamide
PubChem CID19658767
Molecular FormulaC24H20Cl2FN3O4
Molecular Weight504.35 g/mol
Exact Mass503.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]oxamide
SMILESCCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C24H20Cl2FN3O4/c1-2-33-22-11-15(7-10-21(22)34-14-16-5-3-4-6-18(16)25)13-28-30-24(32)23(31)29-17-8-9-20(27)19(26)12-17/h3-13H,2,14H2,1H3,(H,29,31)(H,30,32)/b28-13+
InChIKeyYCYMDCBRLXCPHR-XODNFHPESA-N
XLogP5.20
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.35
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dichlorophenyl)-N'-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5221192
N-(3-chloro-4-methylphenyl)-N'-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 3608430
N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4094540
N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide
CID 3611008
N'-[(E)-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(2-chlorophenyl)oxamide
CID 19660186
N'-[(E)-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 19661177
2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110509220
N'-[(E)-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 19660161
N-(2-chlorophenyl)-N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]oxamide
CID 8931980
(2R)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126367955
N'-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide
CID 8930776
N'-[(E)-[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 19658323

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]oxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]oxamide (CID 19658767) is N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]oxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]oxamide is CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)ccc1OCc1ccccc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]oxamide?
The InChIKey is YCYMDCBRLXCPHR-XODNFHPESA-N. The full InChI is InChI=1S/C24H20Cl2FN3O4/c1-2-33-22-11-15(7-10-21(22)34-14-16-5-3-4-6-18(16)25)13-28-30-24(32)23(31)29-17-8-9-20(27)19(26)12-17/h3-13H,2,14H2,1H3,(H,29,31)(H,30,32)/b28-13+.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]oxamide?
N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]oxamide has a molecular weight of 504.35 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]oxamide is sourced from PubChem (CID 19658767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).