2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide

C16H14Cl2N2O2 — CID 6920998

IUPAC2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2N2O2/c1-11(12-5-7-13(17)8-6-12)19-20-16(21)10-22-15-4-2-3-14(18)9-15/h2-9H,10H2,1H3,(H,20,21)/b19-11+
InChIKeyLZJGOGQRNQUXCE-YBFXNURJSA-N
MW337.21 g/mol
LogP3.91
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide

2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide (PubChem CID 6920998) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
PubChem CID6920998
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2N2O2/c1-11(12-5-7-13(17)8-6-12)19-20-16(21)10-22-15-4-2-3-14(18)9-15/h2-9H,10H2,1H3,(H,20,21)/b19-11+
InChIKeyLZJGOGQRNQUXCE-YBFXNURJSA-N
XLogP3.91
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.91
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-(3-chlorophenoxy)-N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 683722
2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 7334037
2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 2853275
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1354153
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 909276
2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide
CID 6062096
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6054821
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9240501
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 969299

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide (CID 6920998) is 2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide is C/C(=N\NC(=O)COc1cccc(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide?
The InChIKey is LZJGOGQRNQUXCE-YBFXNURJSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-11(12-5-7-13(17)8-6-12)19-20-16(21)10-22-15-4-2-3-14(18)9-15/h2-9H,10H2,1H3,(H,20,21)/b19-11+.
What are the key properties of 2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide?
2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide has a molecular weight of 337.21 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 6920998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).