N'-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-N-propyloxamide

C15H15Cl2N3O3 — CID 8989397

IUPACN'-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-N-propyloxamide
SMILESC#CCOc1c(Cl)cc(/C=N\NC(=O)C(=O)NCCC)cc1Cl
InChIInChI=1S/C15H15Cl2N3O3/c1-3-5-18-14(21)15(22)20-19-9-10-7-11(16)13(12(17)8-10)23-6-4-2/h2,7-9H,3,5-6H2,1H3,(H,18,21)(H,20,22)/b19-9-
InChIKeyDLDYMWODXWKMAM-OCKHKDLRSA-N
MW356.21 g/mol
LogP1.98
Rot. Bonds6

About N'-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-N-propyloxamide

N'-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-N-propyloxamide (PubChem CID 8989397) has the molecular formula C15H15Cl2N3O3 and a molecular weight of 356.21 g/mol. Its IUPAC name is N'-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-N-propyloxamide.

Molecular Properties

Compound NameN'-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-N-propyloxamide
PubChem CID8989397
Molecular FormulaC15H15Cl2N3O3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC NameN'-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-N-propyloxamide
SMILESC#CCOc1c(Cl)cc(/C=N\NC(=O)C(=O)NCCC)cc1Cl
InChIInChI=1S/C15H15Cl2N3O3/c1-3-5-18-14(21)15(22)20-19-9-10-7-11(16)13(12(17)8-10)23-6-4-2/h2,7-9H,3,5-6H2,1H3,(H,18,21)(H,20,22)/b19-9-
InChIKeyDLDYMWODXWKMAM-OCKHKDLRSA-N
XLogP1.98
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 51.98
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylideneamino]-N-propyloxamide
CID 126173094
N'-[(Z)-[3-chloro-5-ethoxy-4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide
CID 126177478
N'-[(Z)-[3-chloro-4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-propyloxamide
CID 126164442
N-[(E)-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 133169499
(NE)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 6894421
N'-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8901516
N'-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-N-(3,4-dichlorophenyl)propanediamide
CID 3553064
N-[(E)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-3-ethoxy-4-propoxybenzamide
CID 126309772
(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidenehydrazine
CID 168529155
2-bromo-N-[(E)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 17245447
N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8989016
N-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 3999542

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-N-propyloxamide?
The IUPAC name of N'-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-N-propyloxamide (CID 8989397) is N'-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-N-propyloxamide.
What is the SMILES notation for N'-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-N-propyloxamide?
The canonical SMILES for N'-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-N-propyloxamide is C#CCOc1c(Cl)cc(/C=N\NC(=O)C(=O)NCCC)cc1Cl.
What is the InChIKey of N'-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-N-propyloxamide?
The InChIKey is DLDYMWODXWKMAM-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3/c1-3-5-18-14(21)15(22)20-19-9-10-7-11(16)13(12(17)8-10)23-6-4-2/h2,7-9H,3,5-6H2,1H3,(H,18,21)(H,20,22)/b19-9-.
What are the key properties of N'-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-N-propyloxamide?
N'-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-N-propyloxamide has a molecular weight of 356.21 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-N-propyloxamide is sourced from PubChem (CID 8989397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).