2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide

C16H15ClN2O2 — CID 905230

IUPAC2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
SMILESCc1cccc(C=NNC(=O)COc2ccccc2Cl)c1
InChIInChI=1S/C16H15ClN2O2/c1-12-5-4-6-13(9-12)10-18-19-16(20)11-21-15-8-3-2-7-14(15)17/h2-10H,11H2,1H3,(H,19,20)
InChIKeyDXGSDPXSQWJEKO-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.18
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide

2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide (PubChem CID 905230) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
PubChem CID905230
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
SMILESCc1cccc(C=NNC(=O)COc2ccccc2Cl)c1
InChIInChI=1S/C16H15ClN2O2/c1-12-5-4-6-13(9-12)10-18-19-16(20)11-21-15-8-3-2-7-14(15)17/h2-10H,11H2,1H3,(H,19,20)
InChIKeyDXGSDPXSQWJEKO-UHFFFAOYSA-N
XLogP3.18
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.18
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-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 831066
[4-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 4105164
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 968439
2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide
CID 8979030
2-(2-chlorophenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426500
2-(2-chlorophenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6863841
2-(2-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190146
2-[4-[(E)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 126020298
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 3322844
N-[(E)-[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylideneamino]-2-(2-chlorophenoxy)acetamide
CID 126019698
N-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 957902

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide (CID 905230) is 2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide is Cc1cccc(C=NNC(=O)COc2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide?
The InChIKey is DXGSDPXSQWJEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-12-5-4-6-13(9-12)10-18-19-16(20)11-21-15-8-3-2-7-14(15)17/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of 2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide?
2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide has a molecular weight of 302.76 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 905230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).