N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide

C24H21Br2ClN2O2 — CID 126219743

IUPACN-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide
SMILESCCc1ccc(/N=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C24H21Br2ClN2O2/c1-3-16-5-8-19(9-6-16)28-13-17-10-18(25)11-21(26)24(17)31-14-23(30)29-20-7-4-15(2)22(27)12-20/h4-13H,3,14H2,1-2H3,(H,29,30)/b28-13+
InChIKeyUSVOHCJKPCPJOM-XODNFHPESA-N
MW564.71 g/mol
LogP7.50
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide

N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide (PubChem CID 126219743) has the molecular formula C24H21Br2ClN2O2 and a molecular weight of 564.71 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide
PubChem CID126219743
Molecular FormulaC24H21Br2ClN2O2
Molecular Weight564.71 g/mol
Exact Mass561.97
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide
SMILESCCc1ccc(/N=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C24H21Br2ClN2O2/c1-3-16-5-8-19(9-6-16)28-13-17-10-18(25)11-21(26)24(17)31-14-23(30)29-20-7-4-15(2)22(27)12-20/h4-13H,3,14H2,1-2H3,(H,29,30)/b28-13+
InChIKeyUSVOHCJKPCPJOM-XODNFHPESA-N
XLogP7.50
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.71
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]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

N-(3-chloro-4-methylphenyl)-2-[2,6-dibromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide
CID 126214545
N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]acetamide
CID 126215869
N-(3-chloro-4-methylphenyl)-2-[1-[(4-ethylphenyl)iminomethyl]naphthalen-2-yl]oxyacetamide
CID 126217069
2-[2,4-dibromo-6-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126218655
2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126218997
N-[(E)-[3,5-dibromo-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126258195
2-[2-bromo-6-ethoxy-4-[(4-ethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126222442
4-bromo-N-[(E)-[3-bromo-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 126262980
2-(4-chloro-2,6-dimethylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 7900401
N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetamide
CID 126214851
N-(3-chloro-4-methylphenyl)-2-[1-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide
CID 126215966
2-[4-bromo-2-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126216116

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide (CID 126219743) is N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide is CCc1ccc(/N=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide?
The InChIKey is USVOHCJKPCPJOM-XODNFHPESA-N. The full InChI is InChI=1S/C24H21Br2ClN2O2/c1-3-16-5-8-19(9-6-16)28-13-17-10-18(25)11-21(26)24(17)31-14-23(30)29-20-7-4-15(2)22(27)12-20/h4-13H,3,14H2,1-2H3,(H,29,30)/b28-13+.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide?
N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide has a molecular weight of 564.71 g/mol, XLogP of 7.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide is sourced from PubChem (CID 126219743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).