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

C18H17ClN2O2 — CID 2852207

IUPAC2-(3-chlorophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
SMILESCC(C=NNC(=O)COc1cccc(Cl)c1)=Cc1ccccc1
InChIInChI=1S/C18H17ClN2O2/c1-14(10-15-6-3-2-4-7-15)12-20-21-18(22)13-23-17-9-5-8-16(19)11-17/h2-12H,13H2,1H3,(H,21,22)
InChIKeyRYSGHYMWBSRTIG-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.92
Rot. Bonds6

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

2-(3-chlorophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide (PubChem CID 2852207) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
PubChem CID2852207
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-(3-chlorophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
SMILESCC(C=NNC(=O)COc1cccc(Cl)c1)=Cc1ccccc1
InChIInChI=1S/C18H17ClN2O2/c1-14(10-15-6-3-2-4-7-15)12-20-21-18(22)13-23-17-9-5-8-16(19)11-17/h2-12H,13H2,1H3,(H,21,22)
InChIKeyRYSGHYMWBSRTIG-UHFFFAOYSA-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'}

Analyze 2-(3-chlorophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)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-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6245542
2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 7606350
2-(3,4-dimethylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
CID 71831047
2-(2-methylphenoxy)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 51060573
2-(3-chlorophenoxy)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 5401693
N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide
CID 9315920
2-[(E)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190252
N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
CID 6369714
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5393352
2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129438375
2-(3-chlorophenoxy)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 7039258
[4-bromo-2-[[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-phenylprop-2-enoate
CID 5103095

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide (CID 2852207) is 2-(3-chlorophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide is CC(C=NNC(=O)COc1cccc(Cl)c1)=Cc1ccccc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide?
The InChIKey is RYSGHYMWBSRTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-14(10-15-6-3-2-4-7-15)12-20-21-18(22)13-23-17-9-5-8-16(19)11-17/h2-12H,13H2,1H3,(H,21,22).
What are the key properties of 2-(3-chlorophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide?
2-(3-chlorophenoxy)-N-[(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-(3-chlorophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide is sourced from PubChem (CID 2852207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).