N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]acetamide

C23H18Br2Cl2N2O2 — CID 126215869

IUPACN-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N/c2cc(Cl)ccc2C)cc1Cl
InChIInChI=1S/C23H18Br2Cl2N2O2/c1-13-4-6-18(10-20(13)27)29-22(30)12-31-23-15(7-16(24)8-19(23)25)11-28-21-9-17(26)5-3-14(21)2/h3-11H,12H2,1-2H3,(H,29,30)/b28-11+
InChIKeyHADOIAIRIGUXKF-IPBVOBEMSA-N
MW585.12 g/mol
LogP7.90
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]acetamide

N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]acetamide (PubChem CID 126215869) has the molecular formula C23H18Br2Cl2N2O2 and a molecular weight of 585.12 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]acetamide
PubChem CID126215869
Molecular FormulaC23H18Br2Cl2N2O2
Molecular Weight585.12 g/mol
Exact Mass581.91
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N/c2cc(Cl)ccc2C)cc1Cl
InChIInChI=1S/C23H18Br2Cl2N2O2/c1-13-4-6-18(10-20(13)27)29-22(30)12-31-23-15(7-16(24)8-19(23)25)11-28-21-9-17(26)5-3-14(21)2/h3-11H,12H2,1-2H3,(H,29,30)/b28-11+
InChIKeyHADOIAIRIGUXKF-IPBVOBEMSA-N
XLogP7.90
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.12
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide
CID 126219743
2-[2,4-dibromo-6-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126218655
4-[[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126222034
2-[4-chloro-2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126218997
2-[4-bromo-2-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126216116
2-(4-chloro-2,6-dimethylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 7900401
N-(3-chloro-4-methylphenyl)-2-[2,6-dibromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide
CID 126214545
N-[(E)-[3,5-dibromo-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126258195
2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 17095271
4-bromo-N-[(E)-[3-bromo-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 126262980
2-[2-bromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126268263
2-[2-bromo-4-[(4-chloroanilino)methyl]-6-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126259843

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]acetamide (CID 126215869) is N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]acetamide is Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2/C=N/c2cc(Cl)ccc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]acetamide?
The InChIKey is HADOIAIRIGUXKF-IPBVOBEMSA-N. The full InChI is InChI=1S/C23H18Br2Cl2N2O2/c1-13-4-6-18(10-20(13)27)29-22(30)12-31-23-15(7-16(24)8-19(23)25)11-28-21-9-17(26)5-3-14(21)2/h3-11H,12H2,1-2H3,(H,29,30)/b28-11+.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]acetamide?
N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]acetamide has a molecular weight of 585.12 g/mol, XLogP of 7.90, 6 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-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]acetamide is sourced from PubChem (CID 126215869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).