2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide

C18H17BrN2O4 — CID 6272149

IUPAC2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1cccc(Br)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H17BrN2O4/c1-12(13-5-6-16-17(9-13)24-8-7-23-16)20-21-18(22)11-25-15-4-2-3-14(19)10-15/h2-6,9-10H,7-8,11H2,1H3,(H,21,22)/b20-12-
InChIKeyFVJLMYADFWXVSN-NDENLUEZSA-N
MW405.25 g/mol
LogP3.14
Rot. Bonds5

About 2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide

2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide (PubChem CID 6272149) has the molecular formula C18H17BrN2O4 and a molecular weight of 405.25 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide
PubChem CID6272149
Molecular FormulaC18H17BrN2O4
Molecular Weight405.25 g/mol
Exact Mass404.04
IUPAC Name2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1cccc(Br)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H17BrN2O4/c1-12(13-5-6-16-17(9-13)24-8-7-23-16)20-21-18(22)11-25-15-4-2-3-14(19)10-15/h2-6,9-10H,7-8,11H2,1H3,(H,21,22)/b20-12-
InChIKeyFVJLMYADFWXVSN-NDENLUEZSA-N
XLogP3.14
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 4657371
2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 1039793
2-(4-cyanophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide
CID 9316629
2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide
CID 7937038
N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4001401
2-(3-bromophenoxy)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide
CID 135775219
2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9359044
N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446
2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 9059627
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545
2-(3-chlorophenoxy)-N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 683722

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide (CID 6272149) is 2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide is C/C(=N/NC(=O)COc1cccc(Br)c1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide?
The InChIKey is FVJLMYADFWXVSN-NDENLUEZSA-N. The full InChI is InChI=1S/C18H17BrN2O4/c1-12(13-5-6-16-17(9-13)24-8-7-23-16)20-21-18(22)11-25-15-4-2-3-14(19)10-15/h2-6,9-10H,7-8,11H2,1H3,(H,21,22)/b20-12-.
What are the key properties of 2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide?
2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide has a molecular weight of 405.25 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide is sourced from PubChem (CID 6272149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).