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

C24H21Br2ClN2O2 — CID 126214545

IUPACN-(3-chloro-4-methylphenyl)-2-[2,6-dibromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide
SMILESCCc1ccc(/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1
InChIInChI=1S/C24H21Br2ClN2O2/c1-3-16-5-8-18(9-6-16)28-13-17-10-20(25)24(21(26)11-17)31-14-23(30)29-19-7-4-15(2)22(27)12-19/h4-13H,3,14H2,1-2H3,(H,29,30)/b28-13+
InChIKeyARWSKMNSQNSITQ-XODNFHPESA-N
MW564.71 g/mol
LogP7.50
Rot. Bonds7

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

N-(3-chloro-4-methylphenyl)-2-[2,6-dibromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide (PubChem CID 126214545) has the molecular formula C24H21Br2ClN2O2 and a molecular weight of 564.71 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[2,6-dibromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[2,6-dibromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide
PubChem CID126214545
Molecular FormulaC24H21Br2ClN2O2
Molecular Weight564.71 g/mol
Exact Mass561.97
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[2,6-dibromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide
SMILESCCc1ccc(/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1
InChIInChI=1S/C24H21Br2ClN2O2/c1-3-16-5-8-18(9-6-16)28-13-17-10-20(25)24(21(26)11-17)31-14-23(30)29-19-7-4-15(2)22(27)12-19/h4-13H,3,14H2,1-2H3,(H,29,30)/b28-13+
InChIKeyARWSKMNSQNSITQ-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'}

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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-bromo-6-ethoxy-4-[(4-ethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126222442
N-(3-chloro-4-methylphenyl)-2-[1-[(4-ethylphenyl)iminomethyl]naphthalen-2-yl]oxyacetamide
CID 126217069
N-[(E)-[3,5-dibromo-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126258195
2-[2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126221588
2-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215354
2-[2-bromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126219660
N-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide
CID 126209044
N-[(E)-[3,5-dibromo-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126275105
2-[2-bromo-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126268263
N-[(E)-[3-bromo-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 126260711
4-bromo-N-[(E)-[3-bromo-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 126262980

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2,6-dibromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2,6-dibromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide (CID 126214545) is N-(3-chloro-4-methylphenyl)-2-[2,6-dibromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[2,6-dibromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[2,6-dibromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide is CCc1ccc(/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[2,6-dibromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide?
The InChIKey is ARWSKMNSQNSITQ-XODNFHPESA-N. The full InChI is InChI=1S/C24H21Br2ClN2O2/c1-3-16-5-8-18(9-6-16)28-13-17-10-20(25)24(21(26)11-17)31-14-23(30)29-19-7-4-15(2)22(27)12-19/h4-13H,3,14H2,1-2H3,(H,29,30)/b28-13+.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[2,6-dibromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide?
N-(3-chloro-4-methylphenyl)-2-[2,6-dibromo-4-[(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-[2,6-dibromo-4-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide is sourced from PubChem (CID 126214545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).