2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide

C16H14Br2N2O2 — CID 1124773

IUPAC2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1cccc(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H14Br2N2O2/c1-11(12-5-7-13(17)8-6-12)19-20-16(21)10-22-15-4-2-3-14(18)9-15/h2-9H,10H2,1H3,(H,20,21)
InChIKeyINAGCFJHINQJHI-UHFFFAOYSA-N
MW426.11 g/mol
LogP4.13
Rot. Bonds5

About 2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide

2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide (PubChem CID 1124773) has the molecular formula C16H14Br2N2O2 and a molecular weight of 426.11 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
PubChem CID1124773
Molecular FormulaC16H14Br2N2O2
Molecular Weight426.11 g/mol
Exact Mass423.94
IUPAC Name2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1cccc(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H14Br2N2O2/c1-11(12-5-7-13(17)8-6-12)19-20-16(21)10-22-15-4-2-3-14(18)9-15/h2-9H,10H2,1H3,(H,20,21)
InChIKeyINAGCFJHINQJHI-UHFFFAOYSA-N
XLogP4.13
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.11
LogP ≤ 54.13
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-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide
CID 7937038
2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 1039793
2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide
CID 6272149
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9359044
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545
N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide
CID 3466804
2-(3-bromophenoxy)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide
CID 135775219
N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4001401
2-(3-chlorophenoxy)-N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 683722
2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
CID 6920998
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 969299

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide (CID 1124773) is 2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide is CC(=NNC(=O)COc1cccc(Br)c1)c1ccc(Br)cc1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide?
The InChIKey is INAGCFJHINQJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2O2/c1-11(12-5-7-13(17)8-6-12)19-20-16(21)10-22-15-4-2-3-14(18)9-15/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide?
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide has a molecular weight of 426.11 g/mol, XLogP of 4.13, 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-[1-(4-bromophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 1124773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).