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

C18H17BrN2O3 — CID 6040296

IUPAC2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESCOc1cc(Br)ccc1OCC(=O)N/N=C\C=C\c1ccccc1
InChIInChI=1S/C18H17BrN2O3/c1-23-17-12-15(19)9-10-16(17)24-13-18(22)21-20-11-5-8-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,21,22)/b8-5+,20-11-
InChIKeyPBXQHTYKTNTURD-NZCXTDTASA-N
MW389.25 g/mol
LogP3.65
Rot. Bonds7

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

2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 6040296) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID6040296
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESCOc1cc(Br)ccc1OCC(=O)N/N=C\C=C\c1ccccc1
InChIInChI=1S/C18H17BrN2O3/c1-23-17-12-15(19)9-10-16(17)24-13-18(22)21-20-11-5-8-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,21,22)/b8-5+,20-11-
InChIKeyPBXQHTYKTNTURD-NZCXTDTASA-N
XLogP3.65
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-bromo-2-methoxyphenoxy)-N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]acetamide
CID 6874055
2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19208394
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19208016
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19183254
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-(2-methylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6252134
2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 7744227
N-(cinnamylideneamino)-3,4-dimethoxybenzamide
CID 6824789
2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136748227
5-bromo-2-ethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 6012251
2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 3468088

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (CID 6040296) is 2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is COc1cc(Br)ccc1OCC(=O)N/N=C\C=C\c1ccccc1.
What is the InChIKey of 2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is PBXQHTYKTNTURD-NZCXTDTASA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-23-17-12-15(19)9-10-16(17)24-13-18(22)21-20-11-5-8-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,21,22)/b8-5+,20-11-.
What are the key properties of 2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 389.25 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 6040296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).