2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide

C19H21Br2N3O2 — CID 5089742

IUPAC2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
SMILESCCN(CC)c1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C19H21Br2N3O2/c1-3-24(4-2)16-8-5-14(6-9-16)12-22-23-19(25)13-26-18-10-7-15(20)11-17(18)21/h5-12H,3-4,13H2,1-2H3,(H,23,25)
InChIKeyJFLVRBGXXOJGRY-UHFFFAOYSA-N
MW483.20 g/mol
LogP4.59
Rot. Bonds8

About 2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide

2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide (PubChem CID 5089742) has the molecular formula C19H21Br2N3O2 and a molecular weight of 483.20 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
PubChem CID5089742
Molecular FormulaC19H21Br2N3O2
Molecular Weight483.20 g/mol
Exact Mass481.00
IUPAC Name2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
SMILESCCN(CC)c1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C19H21Br2N3O2/c1-3-24(4-2)16-8-5-14(6-9-16)12-22-23-19(25)13-26-18-10-7-15(20)11-17(18)21/h5-12H,3-4,13H2,1-2H3,(H,23,25)
InChIKeyJFLVRBGXXOJGRY-UHFFFAOYSA-N
XLogP4.59
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.20
LogP ≤ 54.59
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-(2-bromo-4-nitrophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 1165506
2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 41271374
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6066854
2-(2-bromo-4-ethylphenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 4627721
2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135604458
2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 5087700
2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
CID 5205408
2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 19189995
2-(2-bromo-4-tert-butylphenoxy)-N-[[4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 4922524
2-(4-bromo-2-chlorophenoxy)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 4631725
2-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135588989
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 19208342

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide (CID 5089742) is 2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide is CCN(CC)c1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide?
The InChIKey is JFLVRBGXXOJGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Br2N3O2/c1-3-24(4-2)16-8-5-14(6-9-16)12-22-23-19(25)13-26-18-10-7-15(20)11-17(18)21/h5-12H,3-4,13H2,1-2H3,(H,23,25).
What are the key properties of 2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide?
2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide has a molecular weight of 483.20 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 5089742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).