2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2,3-dichlorophenyl)acetamide

C17H16Cl2N4O4 — CID 110341281

IUPAC2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2,3-dichlorophenyl)acetamide
SMILESCOc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N4O4/c1-26-14-7-10(8-21-23-17(20)25)5-6-13(14)27-9-15(24)22-12-4-2-3-11(18)16(12)19/h2-8H,9H2,1H3,(H,22,24)(H3,20,23,25)/b21-8+
InChIKeyRJSXACBUDCEDHA-ODCIPOBUSA-N
MW411.25 g/mol
LogP3.02
Rot. Bonds7

About 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2,3-dichlorophenyl)acetamide

2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 110341281) has the molecular formula C17H16Cl2N4O4 and a molecular weight of 411.25 g/mol. Its IUPAC name is 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2,3-dichlorophenyl)acetamide
PubChem CID110341281
Molecular FormulaC17H16Cl2N4O4
Molecular Weight411.25 g/mol
Exact Mass410.05
IUPAC Name2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2,3-dichlorophenyl)acetamide
SMILESCOc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N4O4/c1-26-14-7-10(8-21-23-17(20)25)5-6-13(14)27-9-15(24)22-12-4-2-3-11(18)16(12)19/h2-8H,9H2,1H3,(H,22,24)(H3,20,23,25)/b21-8+
InChIKeyRJSXACBUDCEDHA-ODCIPOBUSA-N
XLogP3.02
TPSA115.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.25
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-[4-[2-(2,3-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-ethyloxamide
CID 126160483
ethyl 2-[4-[[[3-(2,3-dichloroanilino)-3-oxopropanoyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 3946821
N'-[(Z)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 126172100
N'-[(Z)-[4-[2-(2,3-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
CID 126166506
2-[4-[(E)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 126027680
N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 124540731
4-[[2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetyl]amino]benzoic acid
CID 19617899
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19655720
2-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-ethoxyphenyl)acetamide
CID 9017322
N-(2,3-dichlorophenyl)-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 3379580
ethyl 2-[4-[[[3-(2-chloroanilino)-3-oxopropanoyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 4556147
N'-[(Z)-[4-[2-(2,3-dichloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126179615

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2,3-dichlorophenyl)acetamide (CID 110341281) is 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2,3-dichlorophenyl)acetamide is COc1cc(/C=N/NC(N)=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is RJSXACBUDCEDHA-ODCIPOBUSA-N. The full InChI is InChI=1S/C17H16Cl2N4O4/c1-26-14-7-10(8-21-23-17(20)25)5-6-13(14)27-9-15(24)22-12-4-2-3-11(18)16(12)19/h2-8H,9H2,1H3,(H,22,24)(H3,20,23,25)/b21-8+.
What are the key properties of 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2,3-dichlorophenyl)acetamide?
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 411.25 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 110341281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).