N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2,5-dichlorophenoxy)acetamide

C17H13BrCl2N2O2 — CID 3315608

IUPACN-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2,5-dichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NN=CC(Br)=Cc1ccccc1
InChIInChI=1S/C17H13BrCl2N2O2/c18-13(8-12-4-2-1-3-5-12)10-21-22-17(23)11-24-16-9-14(19)6-7-15(16)20/h1-10H,11H2,(H,22,23)
InChIKeyVPYUVBGEGRIDBM-UHFFFAOYSA-N
MW428.11 g/mol
LogP4.91
Rot. Bonds6

About N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2,5-dichlorophenoxy)acetamide

N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2,5-dichlorophenoxy)acetamide (PubChem CID 3315608) has the molecular formula C17H13BrCl2N2O2 and a molecular weight of 428.11 g/mol. Its IUPAC name is N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2,5-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2,5-dichlorophenoxy)acetamide
PubChem CID3315608
Molecular FormulaC17H13BrCl2N2O2
Molecular Weight428.11 g/mol
Exact Mass425.95
IUPAC NameN-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2,5-dichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NN=CC(Br)=Cc1ccccc1
InChIInChI=1S/C17H13BrCl2N2O2/c18-13(8-12-4-2-1-3-5-12)10-21-22-17(23)11-24-16-9-14(19)6-7-15(16)20/h1-10H,11H2,(H,22,23)
InChIKeyVPYUVBGEGRIDBM-UHFFFAOYSA-N
XLogP4.91
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.11
LogP ≤ 54.91
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-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide
CID 5222965
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide
CID 9467627
2-(2,5-dichlorophenoxy)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 19189880
2-(2,5-dichlorophenoxy)-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide
CID 19189624
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666
2-(2,5-dichlorophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3437752
2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 5153372
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide
CID 5407602
2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6245542
2-(2,5-dichlorophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 1283615
2-(3-chlorophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
CID 2852207
2-(2,5-dichlorophenoxy)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 19189966

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2,5-dichlorophenoxy)acetamide?
The IUPAC name of N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2,5-dichlorophenoxy)acetamide (CID 3315608) is N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2,5-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2,5-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2,5-dichlorophenoxy)acetamide is O=C(COc1cc(Cl)ccc1Cl)NN=CC(Br)=Cc1ccccc1.
What is the InChIKey of N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2,5-dichlorophenoxy)acetamide?
The InChIKey is VPYUVBGEGRIDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrCl2N2O2/c18-13(8-12-4-2-1-3-5-12)10-21-22-17(23)11-24-16-9-14(19)6-7-15(16)20/h1-10H,11H2,(H,22,23).
What are the key properties of N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2,5-dichlorophenoxy)acetamide?
N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2,5-dichlorophenoxy)acetamide has a molecular weight of 428.11 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2,5-dichlorophenoxy)acetamide is sourced from PubChem (CID 3315608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).