2-(2,4-dibromo-6-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide

C17H23Br2N3O2 — CID 4924335

IUPAC2-(2,4-dibromo-6-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)NN=C1CCN(C(C)C)CC1
InChIInChI=1S/C17H23Br2N3O2/c1-11(2)22-6-4-14(5-7-22)20-21-16(23)10-24-17-12(3)8-13(18)9-15(17)19/h8-9,11H,4-7,10H2,1-3H3,(H,21,23)
InChIKeyMJIFHXZFVOGEQH-UHFFFAOYSA-N
MW461.20 g/mol
LogP3.88
Rot. Bonds5

About 2-(2,4-dibromo-6-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide

2-(2,4-dibromo-6-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide (PubChem CID 4924335) has the molecular formula C17H23Br2N3O2 and a molecular weight of 461.20 g/mol. Its IUPAC name is 2-(2,4-dibromo-6-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromo-6-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide
PubChem CID4924335
Molecular FormulaC17H23Br2N3O2
Molecular Weight461.20 g/mol
Exact Mass459.02
IUPAC Name2-(2,4-dibromo-6-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)NN=C1CCN(C(C)C)CC1
InChIInChI=1S/C17H23Br2N3O2/c1-11(2)22-6-4-14(5-7-22)20-21-16(23)10-24-17-12(3)8-13(18)9-15(17)19/h8-9,11H,4-7,10H2,1-3H3,(H,21,23)
InChIKeyMJIFHXZFVOGEQH-UHFFFAOYSA-N
XLogP3.88
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.20
LogP ≤ 53.88
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

N-(cyclooctylideneamino)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 54786862
N-(azepane-1-carbothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3362720
1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide
CID 4927218
propyl 4-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]ethoxy]benzoate
CID 4927526
2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 4514036
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide
CID 2195651
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(2E)-2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide
CID 6894955
2-(2,4-dibromo-6-methylphenoxy)acetate
CID 6921474
N-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide
CID 3293640
N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504132
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid
CID 28676661

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide?
The IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide (CID 4924335) is 2-(2,4-dibromo-6-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide.
What is the SMILES notation for 2-(2,4-dibromo-6-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide?
The canonical SMILES for 2-(2,4-dibromo-6-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide is Cc1cc(Br)cc(Br)c1OCC(=O)NN=C1CCN(C(C)C)CC1.
What is the InChIKey of 2-(2,4-dibromo-6-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide?
The InChIKey is MJIFHXZFVOGEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Br2N3O2/c1-11(2)22-6-4-14(5-7-22)20-21-16(23)10-24-17-12(3)8-13(18)9-15(17)19/h8-9,11H,4-7,10H2,1-3H3,(H,21,23).
What are the key properties of 2-(2,4-dibromo-6-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide?
2-(2,4-dibromo-6-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide has a molecular weight of 461.20 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-6-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]acetamide is sourced from PubChem (CID 4924335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).