2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide

C23H21ClN2O2 — CID 54785318

IUPAC2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccccc1Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21ClN2O2/c1-17(25-26-22(27)16-28-21-15-9-8-14-20(21)24)23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,23H,16H2,1H3,(H,26,27)/b25-17+
InChIKeyMMIKEKUPKBJLTK-KOEQRZSOSA-N
MW392.89 g/mol
LogP5.04
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide

2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide (PubChem CID 54785318) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
PubChem CID54785318
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccccc1Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21ClN2O2/c1-17(25-26-22(27)16-28-21-15-9-8-14-20(21)24)23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,23H,16H2,1H3,(H,26,27)/b25-17+
InChIKeyMMIKEKUPKBJLTK-KOEQRZSOSA-N
XLogP5.04
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.04
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-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]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-(2,4-dichlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785241
2-(2-butan-2-ylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785277
2-(2-bromo-4-tert-butylphenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785246
2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785322
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-ethoxyacetamide
CID 54785224
2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide
CID 9315307
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 5416756
2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 7325198
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 3367043
(4Z)-4-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 19171619
(3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide
CID 7978293

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide (CID 54785318) is 2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide is C/C(=N\NC(=O)COc1ccccc1Cl)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide?
The InChIKey is MMIKEKUPKBJLTK-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-17(25-26-22(27)16-28-21-15-9-8-14-20(21)24)23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,23H,16H2,1H3,(H,26,27)/b25-17+.
What are the key properties of 2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide?
2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide has a molecular weight of 392.89 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide is sourced from PubChem (CID 54785318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).