N'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide

C19H20ClN3O3 — CID 8902259

IUPACN'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide
SMILESCCNC(=O)C(=O)N/N=C\c1ccc(OCc2ccc(C)cc2)c(Cl)c1
InChIInChI=1S/C19H20ClN3O3/c1-3-21-18(24)19(25)23-22-11-15-8-9-17(16(20)10-15)26-12-14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3,(H,21,24)(H,23,25)/b22-11-
InChIKeyKBNAWGWRESYMCY-JJFYIABZSA-N
MW373.84 g/mol
LogP2.81
Rot. Bonds6

About N'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide

N'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide (PubChem CID 8902259) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is N'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide
PubChem CID8902259
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC NameN'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide
SMILESCCNC(=O)C(=O)N/N=C\c1ccc(OCc2ccc(C)cc2)c(Cl)c1
InChIInChI=1S/C19H20ClN3O3/c1-3-21-18(24)19(25)23-22-11-15-8-9-17(16(20)10-15)26-12-14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3,(H,21,24)(H,23,25)/b22-11-
InChIKeyKBNAWGWRESYMCY-JJFYIABZSA-N
XLogP2.81
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[(Z)-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-ethyloxamide
CID 8931011
N'-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-N-methyloxamide
CID 8901800
N'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8902393
N-[(E)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126318762
N'-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 8902389
N'-[(Z)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide
CID 8930270
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505513
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 8931669
N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8932041
N-[(E)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126326519
2-[2-chloro-4-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 4045866
N'-[(Z)-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
CID 8902799

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide?
The IUPAC name of N'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide (CID 8902259) is N'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide.
What is the SMILES notation for N'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide?
The canonical SMILES for N'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide is CCNC(=O)C(=O)N/N=C\c1ccc(OCc2ccc(C)cc2)c(Cl)c1.
What is the InChIKey of N'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide?
The InChIKey is KBNAWGWRESYMCY-JJFYIABZSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-3-21-18(24)19(25)23-22-11-15-8-9-17(16(20)10-15)26-12-14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3,(H,21,24)(H,23,25)/b22-11-.
What are the key properties of N'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide?
N'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide has a molecular weight of 373.84 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide is sourced from PubChem (CID 8902259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).