2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide

C16H14Cl2N2O2 — CID 831066

IUPAC2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
SMILESCc1cccc(C=NNC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O2/c1-11-3-2-4-12(7-11)9-19-20-16(21)10-22-15-6-5-13(17)8-14(15)18/h2-9H,10H2,1H3,(H,20,21)
InChIKeyYCHOOHLBMCCZGL-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.83
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide

2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide (PubChem CID 831066) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
PubChem CID831066
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
SMILESCc1cccc(C=NNC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O2/c1-11-3-2-4-12(7-11)9-19-20-16(21)10-22-15-6-5-13(17)8-14(15)18/h2-9H,10H2,1H3,(H,20,21)
InChIKeyYCHOOHLBMCCZGL-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
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-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 905230
2-(2,4-dichlorophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 6870038
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7332440
2-(2,4-dichlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924400
[3-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 45054818
2-(2,4-dichlorophenoxy)-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 110339607
N-[(3-chlorophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 690156
2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 667961
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5448376
N-[(E)-(3-bromophenyl)methylideneamino]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 43948593
2-[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 1233295

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide (CID 831066) is 2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide is Cc1cccc(C=NNC(=O)COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide?
The InChIKey is YCHOOHLBMCCZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-11-3-2-4-12(7-11)9-19-20-16(21)10-22-15-6-5-13(17)8-14(15)18/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide?
2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide has a molecular weight of 337.21 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 831066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).