N'-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide

C19H19Cl2N3O3 — CID 8989239

IUPACN'-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
SMILESCCCOc1c(Cl)cc(/C=N\NC(=O)C(=O)Nc2cccc(C)c2)cc1Cl
InChIInChI=1S/C19H19Cl2N3O3/c1-3-7-27-17-15(20)9-13(10-16(17)21)11-22-24-19(26)18(25)23-14-6-4-5-12(2)8-14/h4-6,8-11H,3,7H2,1-2H3,(H,23,25)(H,24,26)/b22-11-
InChIKeyYRYSAORXJNUNBM-JJFYIABZSA-N
MW408.29 g/mol
LogP4.18
Rot. Bonds6

About N'-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide

N'-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide (PubChem CID 8989239) has the molecular formula C19H19Cl2N3O3 and a molecular weight of 408.29 g/mol. Its IUPAC name is N'-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
PubChem CID8989239
Molecular FormulaC19H19Cl2N3O3
Molecular Weight408.29 g/mol
Exact Mass407.08
IUPAC NameN'-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
SMILESCCCOc1c(Cl)cc(/C=N\NC(=O)C(=O)Nc2cccc(C)c2)cc1Cl
InChIInChI=1S/C19H19Cl2N3O3/c1-3-7-27-17-15(20)9-13(10-16(17)21)11-22-24-19(26)18(25)23-14-6-4-5-12(2)8-14/h4-6,8-11H,3,7H2,1-2H3,(H,23,25)(H,24,26)/b22-11-
InChIKeyYRYSAORXJNUNBM-JJFYIABZSA-N
XLogP4.18
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 54.18
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-(3-methylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988901
N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8988874
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8932255
1-[(E)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-3-phenylthiourea
CID 110508577
N'-(benzylideneamino)-N-(3-methylphenyl)oxamide
CID 4143039
N'-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 137126994
N'-[(Z)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-N-methyloxamide
CID 8989020
N-(4-methylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989208
N-[(E)-[3,5-dichloro-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126273170
N'-[(Z)-[3-chloro-5-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 126164026
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8900943
N-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 4135098

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide?
The IUPAC name of N'-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide (CID 8989239) is N'-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide is CCCOc1c(Cl)cc(/C=N\NC(=O)C(=O)Nc2cccc(C)c2)cc1Cl.
What is the InChIKey of N'-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide?
The InChIKey is YRYSAORXJNUNBM-JJFYIABZSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3/c1-3-7-27-17-15(20)9-13(10-16(17)21)11-22-24-19(26)18(25)23-14-6-4-5-12(2)8-14/h4-6,8-11H,3,7H2,1-2H3,(H,23,25)(H,24,26)/b22-11-.
What are the key properties of N'-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide?
N'-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide has a molecular weight of 408.29 g/mol, XLogP of 4.18, 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-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide is sourced from PubChem (CID 8989239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).