2-(4-bromophenoxy)-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]acetamide

C16H13BrF2N2O2 — CID 9359015

IUPAC2-(4-bromophenoxy)-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(Br)cc1)c1cc(F)ccc1F
InChIInChI=1S/C16H13BrF2N2O2/c1-10(14-8-12(18)4-7-15(14)19)20-21-16(22)9-23-13-5-2-11(17)3-6-13/h2-8H,9H2,1H3,(H,21,22)/b20-10-
InChIKeyFNAZMQXNTILRQH-JMIUGGIZSA-N
MW383.19 g/mol
LogP3.65
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]acetamide

2-(4-bromophenoxy)-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]acetamide (PubChem CID 9359015) has the molecular formula C16H13BrF2N2O2 and a molecular weight of 383.19 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]acetamide
PubChem CID9359015
Molecular FormulaC16H13BrF2N2O2
Molecular Weight383.19 g/mol
Exact Mass382.01
IUPAC Name2-(4-bromophenoxy)-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(Br)cc1)c1cc(F)ccc1F
InChIInChI=1S/C16H13BrF2N2O2/c1-10(14-8-12(18)4-7-15(14)19)20-21-16(22)9-23-13-5-2-11(17)3-6-13/h2-8H,9H2,1H3,(H,21,22)/b20-10-
InChIKeyFNAZMQXNTILRQH-JMIUGGIZSA-N
XLogP3.65
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 53.65
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-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide
CID 9359002
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9315771
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412140
2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide
CID 135674748
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide
CID 3466804
2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9359044
N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 135828355
2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide
CID 4146329
2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5428473
2-(4-chlorophenoxy)-N-[(Z)-1-(2,3,4-trichlorophenyl)ethylideneamino]acetamide
CID 7934897
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]acetamide (CID 9359015) is 2-(4-bromophenoxy)-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)COc1ccc(Br)cc1)c1cc(F)ccc1F.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]acetamide?
The InChIKey is FNAZMQXNTILRQH-JMIUGGIZSA-N. The full InChI is InChI=1S/C16H13BrF2N2O2/c1-10(14-8-12(18)4-7-15(14)19)20-21-16(22)9-23-13-5-2-11(17)3-6-13/h2-8H,9H2,1H3,(H,21,22)/b20-10-.
What are the key properties of 2-(4-bromophenoxy)-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]acetamide?
2-(4-bromophenoxy)-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]acetamide has a molecular weight of 383.19 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 9359015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).