2-(4-bromo-3-methylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide

C16H13BrClFN2O2 — CID 4980943

IUPAC2-(4-bromo-3-methylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide
SMILESCc1cc(OCC(=O)NN=Cc2ccc(F)cc2Cl)ccc1Br
InChIInChI=1S/C16H13BrClFN2O2/c1-10-6-13(4-5-14(10)17)23-9-16(22)21-20-8-11-2-3-12(19)7-15(11)18/h2-8H,9H2,1H3,(H,21,22)
InChIKeyYMZOYNFXQFQHFW-UHFFFAOYSA-N
MW399.65 g/mol
LogP4.08
Rot. Bonds5

About 2-(4-bromo-3-methylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide

2-(4-bromo-3-methylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide (PubChem CID 4980943) has the molecular formula C16H13BrClFN2O2 and a molecular weight of 399.65 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide
PubChem CID4980943
Molecular FormulaC16H13BrClFN2O2
Molecular Weight399.65 g/mol
Exact Mass397.98
IUPAC Name2-(4-bromo-3-methylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide
SMILESCc1cc(OCC(=O)NN=Cc2ccc(F)cc2Cl)ccc1Br
InChIInChI=1S/C16H13BrClFN2O2/c1-10-6-13(4-5-14(10)17)23-9-16(22)21-20-8-11-2-3-12(19)7-15(11)18/h2-8H,9H2,1H3,(H,21,22)
InChIKeyYMZOYNFXQFQHFW-UHFFFAOYSA-N
XLogP4.08
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.65
LogP ≤ 54.08
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'}

Analyze 2-(4-bromo-3-methylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]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-bromo-4-tert-butylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide
CID 4980952
2-(4-chloro-3-methylphenoxy)-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 135607176
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide
CID 135643958
4-[(E)-[[2-(4-bromo-3-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190233
[2,4-dibromo-6-[[[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
CID 3135428
N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 4980769
2-(4-bromo-3-methylphenoxy)-N-[(E)-(4-butoxyphenyl)methylideneamino]acetamide
CID 19189802
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316103
2-(4-chloro-3-methylphenoxy)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 135643954
2-(4-bromo-3-methylphenoxy)-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190500
2-(4-tert-butylphenoxy)-N-[(2,4-difluorophenyl)methylideneamino]acetamide
CID 2423369
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 39819272

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide (CID 4980943) is 2-(4-bromo-3-methylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide is Cc1cc(OCC(=O)NN=Cc2ccc(F)cc2Cl)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide?
The InChIKey is YMZOYNFXQFQHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClFN2O2/c1-10-6-13(4-5-14(10)17)23-9-16(22)21-20-8-11-2-3-12(19)7-15(11)18/h2-8H,9H2,1H3,(H,21,22).
What are the key properties of 2-(4-bromo-3-methylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide?
2-(4-bromo-3-methylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide has a molecular weight of 399.65 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 4980943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).