2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

C19H19BrN2O2 — CID 19208394

IUPAC2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESCCc1cc(Br)ccc1OCC(=O)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C19H19BrN2O2/c1-2-16-13-17(20)10-11-18(16)24-14-19(23)22-21-12-6-9-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3,(H,22,23)/b9-6+,21-12+
InChIKeyPWLDUKQWNNBOBK-XZHCKZKCSA-N
MW387.28 g/mol
LogP4.21
Rot. Bonds7

About 2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 19208394) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID19208394
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESCCc1cc(Br)ccc1OCC(=O)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C19H19BrN2O2/c1-2-16-13-17(20)10-11-18(16)24-14-19(23)22-21-12-6-9-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3,(H,22,23)/b9-6+,21-12+
InChIKeyPWLDUKQWNNBOBK-XZHCKZKCSA-N
XLogP4.21
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.21
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-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-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-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6040296
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19208016
2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 129438781
2-(4-bromonaphthalen-1-yl)oxy-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 129437793
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19183254
2-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6252134
2-(4-bromo-2-methoxyphenoxy)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]acetamide
CID 6874055
5-bromo-2-ethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 6012251
2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 7744227
2-(4-bromo-2-ethylphenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
CID 19208371
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide
CID 19208334
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19208379

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (CID 19208394) is 2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is CCc1cc(Br)ccc1OCC(=O)N/N=C/C=C/c1ccccc1.
What is the InChIKey of 2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is PWLDUKQWNNBOBK-XZHCKZKCSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-2-16-13-17(20)10-11-18(16)24-14-19(23)22-21-12-6-9-15-7-4-3-5-8-15/h3-13H,2,14H2,1H3,(H,22,23)/b9-6+,21-12+.
What are the key properties of 2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 387.28 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 19208394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).