2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide

C18H17BrN2O2 — CID 7606350

IUPAC2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
SMILESCC(/C=N\NC(=O)COc1cccc(Br)c1)=C\c1ccccc1
InChIInChI=1S/C18H17BrN2O2/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)/b14-10+,20-12-
InChIKeyUQURBHPSIBNZAP-TZXDKGFWSA-N
MW373.25 g/mol
LogP4.03
Rot. Bonds6

About 2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide

2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 7606350) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID7606350
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
SMILESCC(/C=N\NC(=O)COc1cccc(Br)c1)=C\c1ccccc1
InChIInChI=1S/C18H17BrN2O2/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)/b14-10+,20-12-
InChIKeyUQURBHPSIBNZAP-TZXDKGFWSA-N
XLogP4.03
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.03
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-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6245542
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
[4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6005273
2-[4-[(E)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6909519
2-(2-methylphenoxy)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 51060573
3-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6155802
2-(2-bromo-4-nitrophenoxy)-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 46502473
N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
CID 6369714
2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 598847
2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129438375

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide (CID 7606350) is 2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide is CC(/C=N\NC(=O)COc1cccc(Br)c1)=C\c1ccccc1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is UQURBHPSIBNZAP-TZXDKGFWSA-N. The full InChI is InChI=1S/C18H17BrN2O2/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)/b14-10+,20-12-.
What are the key properties of 2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 373.25 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 7606350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).