2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide

C15H10Cl4N2O2 — CID 45055184

IUPAC2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
SMILESO=C(COc1cccc(Cl)c1Cl)N/N=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C15H10Cl4N2O2/c16-10-4-1-3-9(14(10)18)7-20-21-13(22)8-23-12-6-2-5-11(17)15(12)19/h1-7H,8H2,(H,21,22)/b20-7+
InChIKeyBZUXFPXMWQZSOP-IFRROFPPSA-N
MW392.07 g/mol
LogP4.83
Rot. Bonds5

About 2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide

2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide (PubChem CID 45055184) has the molecular formula C15H10Cl4N2O2 and a molecular weight of 392.07 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
PubChem CID45055184
Molecular FormulaC15H10Cl4N2O2
Molecular Weight392.07 g/mol
Exact Mass389.95
IUPAC Name2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
SMILESO=C(COc1cccc(Cl)c1Cl)N/N=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C15H10Cl4N2O2/c16-10-4-1-3-9(14(10)18)7-20-21-13(22)8-23-12-6-2-5-11(17)15(12)19/h1-7H,8H2,(H,21,22)/b20-7+
InChIKeyBZUXFPXMWQZSOP-IFRROFPPSA-N
XLogP4.83
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.07
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(2,3-dichlorophenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136808275
2-(2,3-dichlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 4059063
2-(2,3-dichlorophenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136808297
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2,3-dichlorophenoxy)acetamide
CID 6174342
N-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 2246193
2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 7738182
2-(2-bromophenoxy)-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 6083444
N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide
CID 45055199
2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104421
N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide
CID 154646210
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 171981130
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6877054

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide (CID 45055184) is 2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide is O=C(COc1cccc(Cl)c1Cl)N/N=C/c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide?
The InChIKey is BZUXFPXMWQZSOP-IFRROFPPSA-N. The full InChI is InChI=1S/C15H10Cl4N2O2/c16-10-4-1-3-9(14(10)18)7-20-21-13(22)8-23-12-6-2-5-11(17)15(12)19/h1-7H,8H2,(H,21,22)/b20-7+.
What are the key properties of 2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide?
2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide has a molecular weight of 392.07 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 45055184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).