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

C23H21BrN2O3 — CID 3468088

IUPAC2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
SMILESCOc1cc(Br)ccc1OCC(=O)NN=C(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21BrN2O3/c1-16(17-8-10-19(11-9-17)18-6-4-3-5-7-18)25-26-23(27)15-29-21-13-12-20(24)14-22(21)28-2/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyHVPKIWDMJPYWJP-UHFFFAOYSA-N
MW453.34 g/mol
LogP5.04
Rot. Bonds7

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

2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide (PubChem CID 3468088) has the molecular formula C23H21BrN2O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is 2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
PubChem CID3468088
Molecular FormulaC23H21BrN2O3
Molecular Weight453.34 g/mol
Exact Mass452.07
IUPAC Name2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
SMILESCOc1cc(Br)ccc1OCC(=O)NN=C(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21BrN2O3/c1-16(17-8-10-19(11-9-17)18-6-4-3-5-7-18)25-26-23(27)15-29-21-13-12-20(24)14-22(21)28-2/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyHVPKIWDMJPYWJP-UHFFFAOYSA-N
XLogP5.04
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-bromo-2-methoxyphenoxy)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 136866793
2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 4632189
2-(2-bromo-4-chlorophenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide
CID 4553422
2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 1039793
2-(4-bromo-2-methylphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135625886
2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide
CID 7695777
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenoxy)acetamide
CID 3367043
2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6040296
2-(2-methoxyphenoxy)-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]acetamide
CID 9315812
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
2-(4-bromonaphthalen-1-yl)oxy-N-(1-phenylethylideneamino)acetamide
CID 1153983

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide (CID 3468088) is 2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide is COc1cc(Br)ccc1OCC(=O)NN=C(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide?
The InChIKey is HVPKIWDMJPYWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O3/c1-16(17-8-10-19(11-9-17)18-6-4-3-5-7-18)25-26-23(27)15-29-21-13-12-20(24)14-22(21)28-2/h3-14H,15H2,1-2H3,(H,26,27).
What are the key properties of 2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide?
2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide has a molecular weight of 453.34 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methoxyphenoxy)-N-[1-(4-phenylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 3468088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).