N'-[(Z)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide

C17H15Cl2N3O3 — CID 8930270

IUPACN'-[(Z)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide
SMILESCNC(=O)C(=O)N/N=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O3/c1-20-16(23)17(24)22-21-9-11-5-6-15(14(19)8-11)25-10-12-3-2-4-13(18)7-12/h2-9H,10H2,1H3,(H,20,23)(H,22,24)/b21-9-
InChIKeyRZXQAJYKKDUSQX-NKVSQWTQSA-N
MW380.23 g/mol
LogP2.77
Rot. Bonds5

About N'-[(Z)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide

N'-[(Z)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide (PubChem CID 8930270) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is N'-[(Z)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide
PubChem CID8930270
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC NameN'-[(Z)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide
SMILESCNC(=O)C(=O)N/N=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O3/c1-20-16(23)17(24)22-21-9-11-5-6-15(14(19)8-11)25-10-12-3-2-4-13(18)7-12/h2-9H,10H2,1H3,(H,20,23)(H,22,24)/b21-9-
InChIKeyRZXQAJYKKDUSQX-NKVSQWTQSA-N
XLogP2.77
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 52.77
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-phenylmethoxyphenyl)methylideneamino]-N-methyloxamide
CID 8901800
N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126331077
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-methyloxamide
CID 8990228
N'-[(Z)-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide
CID 8930037
N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126323378
N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 126319121
N'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide
CID 8902259
N'-[(Z)-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide
CID 8930005
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110507323
N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-hydroxybenzamide
CID 112537999
4-chloro-N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 110340066
N'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide
CID 5239711

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide?
The IUPAC name of N'-[(Z)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide (CID 8930270) is N'-[(Z)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide.
What is the SMILES notation for N'-[(Z)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide?
The canonical SMILES for N'-[(Z)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide is CNC(=O)C(=O)N/N=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1.
What is the InChIKey of N'-[(Z)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide?
The InChIKey is RZXQAJYKKDUSQX-NKVSQWTQSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c1-20-16(23)17(24)22-21-9-11-5-6-15(14(19)8-11)25-10-12-3-2-4-13(18)7-12/h2-9H,10H2,1H3,(H,20,23)(H,22,24)/b21-9-.
What are the key properties of N'-[(Z)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide?
N'-[(Z)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide has a molecular weight of 380.23 g/mol, XLogP of 2.77, 5 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-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide is sourced from PubChem (CID 8930270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).