2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide

C20H19ClN2O2 — CID 7325198

IUPAC2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
SMILESCC(/C=C/C=C/c1ccccc1)=N\NC(=O)COc1ccccc1Cl
InChIInChI=1S/C20H19ClN2O2/c1-16(9-5-6-12-17-10-3-2-4-11-17)22-23-20(24)15-25-19-14-8-7-13-18(19)21/h2-14H,15H2,1H3,(H,23,24)/b9-5+,12-6+,22-16+
InChIKeyRNALPRHQSGXDIB-GLXVXHPQSA-N
MW354.84 g/mol
LogP4.48
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide

2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide (PubChem CID 7325198) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
PubChem CID7325198
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
SMILESCC(/C=C/C=C/c1ccccc1)=N\NC(=O)COc1ccccc1Cl
InChIInChI=1S/C20H19ClN2O2/c1-16(9-5-6-12-17-10-3-2-4-11-17)22-23-20(24)15-25-19-14-8-7-13-18(19)21/h2-14H,15H2,1H3,(H,23,24)/b9-5+,12-6+,22-16+
InChIKeyRNALPRHQSGXDIB-GLXVXHPQSA-N
XLogP4.48
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.48
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]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-bromo-4-chlorophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 2847577
2-(2-cyanophenoxy)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 6261617
2-(2,4-dichlorophenoxy)-N-[(E)-[(Z)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 92913426
2-(4-chloro-2-nitrophenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 2835475
2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide
CID 3566595
2-(3,4-dimethylphenoxy)-N-(6-phenylhexa-3,5-dien-2-ylideneamino)acetamide
CID 3097034
2-(2-chlorophenoxy)-N-[(E)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 54785318
2-(2-nitrophenoxy)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 171980830
2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide
CID 9315307
2-(2,6-dimethylphenoxy)-N-(4-phenylbut-3-en-2-ylideneamino)acetamide
CID 4599230
2-(2,6-dibromo-4-methylphenoxy)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 129440342
2-(2-chlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 905230

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide (CID 7325198) is 2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide is CC(/C=C/C=C/c1ccccc1)=N\NC(=O)COc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide?
The InChIKey is RNALPRHQSGXDIB-GLXVXHPQSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-16(9-5-6-12-17-10-3-2-4-11-17)22-23-20(24)15-25-19-14-8-7-13-18(19)21/h2-14H,15H2,1H3,(H,23,24)/b9-5+,12-6+,22-16+.
What are the key properties of 2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide?
2-(2-chlorophenoxy)-N-[(E)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide has a molecular weight of 354.84 g/mol, XLogP of 4.48, 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)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide is sourced from PubChem (CID 7325198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).