2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide

C17H17BrN2O4 — CID 135849100

IUPAC2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(OCC(=O)N/N=C(\C)c2ccc(O)cc2)c(Br)c1
InChIInChI=1S/C17H17BrN2O4/c1-11(12-3-5-13(21)6-4-12)19-20-17(22)10-24-16-8-7-14(23-2)9-15(16)18/h3-9,21H,10H2,1-2H3,(H,20,22)/b19-11+
InChIKeyDGSCQDODMFXDHS-YBFXNURJSA-N
MW393.24 g/mol
LogP3.08
Rot. Bonds6

About 2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide

2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide (PubChem CID 135849100) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
PubChem CID135849100
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(OCC(=O)N/N=C(\C)c2ccc(O)cc2)c(Br)c1
InChIInChI=1S/C17H17BrN2O4/c1-11(12-3-5-13(21)6-4-12)19-20-17(22)10-24-16-8-7-14(23-2)9-15(16)18/h3-9,21H,10H2,1-2H3,(H,20,22)/b19-11+
InChIKeyDGSCQDODMFXDHS-YBFXNURJSA-N
XLogP3.08
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6123669
2-(2-bromo-4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 4926099
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096
2-(4-bromo-2-methylphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135625886
2-(2,4-dichlorophenoxy)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6015085
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 4121523
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 921075
2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide
CID 4531701
2-(2,4-dibromo-6-methylphenoxy)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6127038
2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 4553422
2-(4-tert-butylphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135560522

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide (CID 135849100) is 2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide is COc1ccc(OCC(=O)N/N=C(\C)c2ccc(O)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is DGSCQDODMFXDHS-YBFXNURJSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-11(12-3-5-13(21)6-4-12)19-20-17(22)10-24-16-8-7-14(23-2)9-15(16)18/h3-9,21H,10H2,1-2H3,(H,20,22)/b19-11+.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide?
2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 393.24 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 135849100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).