2-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]acetamide

C18H19FN2O2 — CID 7984935

IUPAC2-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1cc(C)ccc1C)c1ccccc1F
InChIInChI=1S/C18H19FN2O2/c1-12-8-9-13(2)17(10-12)23-11-18(22)21-20-14(3)15-6-4-5-7-16(15)19/h4-10H,11H2,1-3H3,(H,21,22)/b20-14-
InChIKeyMXFMOHBDYUUFSC-ZHZULCJRSA-N
MW314.36 g/mol
LogP3.36
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]acetamide

2-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]acetamide (PubChem CID 7984935) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]acetamide
PubChem CID7984935
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1cc(C)ccc1C)c1ccccc1F
InChIInChI=1S/C18H19FN2O2/c1-12-8-9-13(2)17(10-12)23-11-18(22)21-20-14(3)15-6-4-5-7-16(15)19/h4-10H,11H2,1-3H3,(H,21,22)/b20-14-
InChIKeyMXFMOHBDYUUFSC-ZHZULCJRSA-N
XLogP3.36
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.36
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-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]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-(2,5-dimethylphenoxy)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 3303808
N-[3-[N-[[2-(2,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-fluorobenzamide
CID 3419303
2-(2,5-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 958391
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 921075
2-(2,5-dimethylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]acetamide
CID 5015848
2-(2,5-dimethylphenoxy)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]acetamide
CID 55353088
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316839
2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide
CID 3304000
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9315771
N-[(Z)-1-(4-chlorophenyl)propylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 7813174
2-(2,5-dimethylphenoxy)-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]acetamide
CID 9316036

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]acetamide (CID 7984935) is 2-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)COc1cc(C)ccc1C)c1ccccc1F.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]acetamide?
The InChIKey is MXFMOHBDYUUFSC-ZHZULCJRSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12-8-9-13(2)17(10-12)23-11-18(22)21-20-14(3)15-6-4-5-7-16(15)19/h4-10H,11H2,1-3H3,(H,21,22)/b20-14-.
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]acetamide?
2-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]acetamide has a molecular weight of 314.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 7984935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).