2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide

C16H15ClN2O2 — CID 5334474

IUPAC2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
SMILESCc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O2/c1-12-4-2-3-5-13(12)10-18-19-16(20)11-21-15-8-6-14(17)7-9-15/h2-10H,11H2,1H3,(H,19,20)/b18-10+
InChIKeyOSLHHVRVXTYPKG-VCHYOVAHSA-N
MW302.76 g/mol
LogP3.18
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide

2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide (PubChem CID 5334474) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
PubChem CID5334474
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
SMILESCc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O2/c1-12-4-2-3-5-13(12)10-18-19-16(20)11-21-15-8-6-14(17)7-9-15/h2-10H,11H2,1H3,(H,19,20)/b18-10+
InChIKeyOSLHHVRVXTYPKG-VCHYOVAHSA-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'}

Analyze 2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylphenoxy)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 867406
2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 5417368
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 5419126
N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2311965
N-[(Z)-(2-methylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5428266
2-(4-chlorophenoxy)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6899394
2-(4-chlorophenoxy)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 135533084
2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 917786
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136661557
2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135578464
2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide
CID 6897199
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 6287016

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide (CID 5334474) is 2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide is Cc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide?
The InChIKey is OSLHHVRVXTYPKG-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-12-4-2-3-5-13(12)10-18-19-16(20)11-21-15-8-6-14(17)7-9-15/h2-10H,11H2,1H3,(H,19,20)/b18-10+.
What are the key properties of 2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide?
2-(4-chlorophenoxy)-N-[(E)-(2-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-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5334474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).