2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide

C18H17ClN2O2 — CID 6245542

IUPAC2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
SMILESCC(/C=N\NC(=O)COc1ccc(Cl)cc1)=C/c1ccccc1
InChIInChI=1S/C18H17ClN2O2/c1-14(11-15-5-3-2-4-6-15)12-20-21-18(22)13-23-17-9-7-16(19)8-10-17/h2-12H,13H2,1H3,(H,21,22)/b14-11-,20-12-
InChIKeyTXUUBNOQUVOMNM-ZGDQLFAISA-N
MW328.80 g/mol
LogP3.92
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide

2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 6245542) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID6245542
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
SMILESCC(/C=N\NC(=O)COc1ccc(Cl)cc1)=C/c1ccccc1
InChIInChI=1S/C18H17ClN2O2/c1-14(11-15-5-3-2-4-6-15)12-20-21-18(22)13-23-17-9-7-16(19)8-10-17/h2-12H,13H2,1H3,(H,21,22)/b14-11-,20-12-
InChIKeyTXUUBNOQUVOMNM-ZGDQLFAISA-N
XLogP3.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.92
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'}

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Related Compounds

2-(3-chlorophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
CID 2852207
2-(3,4-dimethylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
CID 71831047
2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 7606350
2-(2-methylphenoxy)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 51060573
N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide
CID 9315920
N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
CID 6369714
2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129438375
4-(4-chloro-2-methylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]butanamide
CID 4613145
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
CID 6761601
2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 5334474
2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129431732
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide (CID 6245542) is 2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide is CC(/C=N\NC(=O)COc1ccc(Cl)cc1)=C/c1ccccc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is TXUUBNOQUVOMNM-ZGDQLFAISA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-14(11-15-5-3-2-4-6-15)12-20-21-18(22)13-23-17-9-7-16(19)8-10-17/h2-12H,13H2,1H3,(H,21,22)/b14-11-,20-12-.
What are the key properties of 2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 328.80 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 6245542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).