2-(3-bromophenoxy)-N-[(Z)-cyclohexylmethylideneamino]acetamide

C15H19BrN2O2 — CID 7788343

IUPAC2-(3-bromophenoxy)-N-[(Z)-cyclohexylmethylideneamino]acetamide
SMILESO=C(COc1cccc(Br)c1)N/N=C\C1CCCCC1
InChIInChI=1S/C15H19BrN2O2/c16-13-7-4-8-14(9-13)20-11-15(19)18-17-10-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H,18,19)/b17-10-
InChIKeyIIJNEGXZAFRMAH-YVLHZVERSA-N
MW339.23 g/mol
LogP3.51
Rot. Bonds5

About 2-(3-bromophenoxy)-N-[(Z)-cyclohexylmethylideneamino]acetamide

2-(3-bromophenoxy)-N-[(Z)-cyclohexylmethylideneamino]acetamide (PubChem CID 7788343) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(Z)-cyclohexylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(Z)-cyclohexylmethylideneamino]acetamide
PubChem CID7788343
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name2-(3-bromophenoxy)-N-[(Z)-cyclohexylmethylideneamino]acetamide
SMILESO=C(COc1cccc(Br)c1)N/N=C\C1CCCCC1
InChIInChI=1S/C15H19BrN2O2/c16-13-7-4-8-14(9-13)20-11-15(19)18-17-10-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H,18,19)/b17-10-
InChIKeyIIJNEGXZAFRMAH-YVLHZVERSA-N
XLogP3.51
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.51
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-bromophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide
CID 50854100
2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide
CID 4598925
2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5391030
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide
CID 135419615
2-(3-bromophenoxy)-N-[(2,3-dihydroxyphenyl)methylideneamino]acetamide
CID 2641940
2-[4-[(E)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6909519
2-(3-bromophenoxy)-N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]acetamide
CID 50855525
2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 7606350
2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 7738182
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
2-(3-bromophenoxy)-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]acetamide
CID 6144474
2-(3-bromophenoxy)-N-[(E)-(2,3-dibromo-4,5-dihydroxyphenyl)methylideneamino]acetamide
CID 135715886

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(Z)-cyclohexylmethylideneamino]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[(Z)-cyclohexylmethylideneamino]acetamide (CID 7788343) is 2-(3-bromophenoxy)-N-[(Z)-cyclohexylmethylideneamino]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(Z)-cyclohexylmethylideneamino]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(Z)-cyclohexylmethylideneamino]acetamide is O=C(COc1cccc(Br)c1)N/N=C\C1CCCCC1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(Z)-cyclohexylmethylideneamino]acetamide?
The InChIKey is IIJNEGXZAFRMAH-YVLHZVERSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c16-13-7-4-8-14(9-13)20-11-15(19)18-17-10-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H,18,19)/b17-10-.
What are the key properties of 2-(3-bromophenoxy)-N-[(Z)-cyclohexylmethylideneamino]acetamide?
2-(3-bromophenoxy)-N-[(Z)-cyclohexylmethylideneamino]acetamide has a molecular weight of 339.23 g/mol, XLogP of 3.51, 5 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)-cyclohexylmethylideneamino]acetamide is sourced from PubChem (CID 7788343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).