2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide

C17H14Cl3N3O3 — CID 6877054

IUPAC2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC(=O)N/N=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C17H14Cl3N3O3/c18-12-4-6-13(7-5-12)26-10-16(25)21-9-15(24)23-22-8-11-2-1-3-14(19)17(11)20/h1-8H,9-10H2,(H,21,25)(H,23,24)/b22-8+
InChIKeyDHYUILUXEXFIBR-GZIVZEMBSA-N
MW414.68 g/mol
LogP3.29
Rot. Bonds7

About 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide

2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide (PubChem CID 6877054) has the molecular formula C17H14Cl3N3O3 and a molecular weight of 414.68 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
PubChem CID6877054
Molecular FormulaC17H14Cl3N3O3
Molecular Weight414.68 g/mol
Exact Mass413.01
IUPAC Name2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC(=O)N/N=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C17H14Cl3N3O3/c18-12-4-6-13(7-5-12)26-10-16(25)21-9-15(24)23-22-8-11-2-1-3-14(19)17(11)20/h1-8H,9-10H2,(H,21,25)(H,23,24)/b22-8+
InChIKeyDHYUILUXEXFIBR-GZIVZEMBSA-N
XLogP3.29
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.68
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3496807
2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 45055184
2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 7738182
2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 5334474
N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2311965
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide
CID 6877055
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2695109
2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide
CID 6897199
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 6287016
2-(4-chlorophenoxy)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6899394
N-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 2246193
N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 3322894

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide (CID 6877054) is 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide is O=C(COc1ccc(Cl)cc1)NCC(=O)N/N=C/c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide?
The InChIKey is DHYUILUXEXFIBR-GZIVZEMBSA-N. The full InChI is InChI=1S/C17H14Cl3N3O3/c18-12-4-6-13(7-5-12)26-10-16(25)21-9-15(24)23-22-8-11-2-1-3-14(19)17(11)20/h1-8H,9-10H2,(H,21,25)(H,23,24)/b22-8+.
What are the key properties of 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide?
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide has a molecular weight of 414.68 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6877054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).