N-[(E)-(3-bromophenyl)methylideneamino]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide

C17H14BrCl2N3O3 — CID 43948593

IUPACN-[(E)-(3-bromophenyl)methylideneamino]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCC(=O)N/N=C/c1cccc(Br)c1
InChIInChI=1S/C17H14BrCl2N3O3/c18-12-3-1-2-11(6-12)8-22-23-16(24)9-21-17(25)10-26-15-5-4-13(19)7-14(15)20/h1-8H,9-10H2,(H,21,25)(H,23,24)/b22-8+
InChIKeyZXKGFZZFEXYOGT-GZIVZEMBSA-N
MW459.13 g/mol
LogP3.40
Rot. Bonds7

About N-[(E)-(3-bromophenyl)methylideneamino]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide

N-[(E)-(3-bromophenyl)methylideneamino]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide (PubChem CID 43948593) has the molecular formula C17H14BrCl2N3O3 and a molecular weight of 459.13 g/mol. Its IUPAC name is N-[(E)-(3-bromophenyl)methylideneamino]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[(E)-(3-bromophenyl)methylideneamino]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
PubChem CID43948593
Molecular FormulaC17H14BrCl2N3O3
Molecular Weight459.13 g/mol
Exact Mass456.96
IUPAC NameN-[(E)-(3-bromophenyl)methylideneamino]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCC(=O)N/N=C/c1cccc(Br)c1
InChIInChI=1S/C17H14BrCl2N3O3/c18-12-3-1-2-11(6-12)8-22-23-16(24)9-21-17(25)10-26-15-5-4-13(19)7-14(15)20/h1-8H,9-10H2,(H,21,25)(H,23,24)/b22-8+
InChIKeyZXKGFZZFEXYOGT-GZIVZEMBSA-N
XLogP3.40
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.13
LogP ≤ 53.40
H-Bond Donors ≤ 52
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'}

Analyze N-[(E)-(3-bromophenyl)methylideneamino]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dichlorophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 6870038
N-[(3-bromophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4547272
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666
2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 831066
2-(2,4-dichlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924400
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5448376
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7332440
[3-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 45054818
3-bromo-N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4316805
2-(2,4-dichlorophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide
CID 639603
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1244687
2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 667961

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide?
The IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide (CID 43948593) is N-[(E)-(3-bromophenyl)methylideneamino]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-[(E)-(3-bromophenyl)methylideneamino]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-[(E)-(3-bromophenyl)methylideneamino]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide is O=C(COc1ccc(Cl)cc1Cl)NCC(=O)N/N=C/c1cccc(Br)c1.
What is the InChIKey of N-[(E)-(3-bromophenyl)methylideneamino]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide?
The InChIKey is ZXKGFZZFEXYOGT-GZIVZEMBSA-N. The full InChI is InChI=1S/C17H14BrCl2N3O3/c18-12-3-1-2-11(6-12)8-22-23-16(24)9-21-17(25)10-26-15-5-4-13(19)7-14(15)20/h1-8H,9-10H2,(H,21,25)(H,23,24)/b22-8+.
What are the key properties of N-[(E)-(3-bromophenyl)methylideneamino]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide?
N-[(E)-(3-bromophenyl)methylideneamino]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide has a molecular weight of 459.13 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromophenyl)methylideneamino]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 43948593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).