N-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)acetamide

C13H16Cl2N2O2 — CID 46741812

IUPACN-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)NN=C(CCl)CCl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-9-3-10(2)5-12(4-9)19-8-13(18)17-16-11(6-14)7-15/h3-5H,6-8H2,1-2H3,(H,17,18)
InChIKeyXZFODXUAUJWDEW-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.63
Rot. Bonds6

About N-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)acetamide

N-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 46741812) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is N-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)acetamide
PubChem CID46741812
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC NameN-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)NN=C(CCl)CCl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-9-3-10(2)5-12(4-9)19-8-13(18)17-16-11(6-14)7-15/h3-5H,6-8H2,1-2H3,(H,17,18)
InChIKeyXZFODXUAUJWDEW-UHFFFAOYSA-N
XLogP2.63
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)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

N-(1,3-dichloropropan-2-ylideneamino)-2-(3,4-dimethylphenoxy)acetamide
CID 46741808
N-[1-(4-tert-butylphenyl)ethylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 1154035
N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide
CID 3379607
2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide
CID 4542749
2-(3,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 679981
2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide
CID 135674748
2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391085
N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 135643663
2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60624673
2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide
CID 103919351
N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 1326101
2-(3,5-dimethylphenoxy)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 927162

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)acetamide (CID 46741812) is N-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)acetamide is Cc1cc(C)cc(OCC(=O)NN=C(CCl)CCl)c1.
What is the InChIKey of N-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is XZFODXUAUJWDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-9-3-10(2)5-12(4-9)19-8-13(18)17-16-11(6-14)7-15/h3-5H,6-8H2,1-2H3,(H,17,18).
What are the key properties of N-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)acetamide?
N-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)acetamide has a molecular weight of 303.19 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 46741812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).