N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide

C23H15Br2ClN2O4 — CID 3508884

IUPACN-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl
InChIInChI=1S/C23H15Br2ClN2O4/c1-12-8-13(24)9-17(25)21(12)32-11-20(29)27-19-7-6-14(10-18(19)26)28-22(30)15-4-2-3-5-16(15)23(28)31/h2-10H,11H2,1H3,(H,27,29)
InChIKeyWPUYVIVWJRWAGE-UHFFFAOYSA-N
MW578.64 g/mol
LogP5.99
Rot. Bonds5

About N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide

N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide (PubChem CID 3508884) has the molecular formula C23H15Br2ClN2O4 and a molecular weight of 578.64 g/mol. Its IUPAC name is N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
PubChem CID3508884
Molecular FormulaC23H15Br2ClN2O4
Molecular Weight578.64 g/mol
Exact Mass575.91
IUPAC NameN-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl
InChIInChI=1S/C23H15Br2ClN2O4/c1-12-8-13(24)9-17(25)21(12)32-11-20(29)27-19-7-6-14(10-18(19)26)28-22(30)15-4-2-3-5-16(15)23(28)31/h2-10H,11H2,1H3,(H,27,29)
InChIKeyWPUYVIVWJRWAGE-UHFFFAOYSA-N
XLogP5.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.64
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
2-(4-bromophenoxy)-N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]acetamide
CID 4627474
N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 100828344
2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]acetamide
CID 4627699
2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 23909609
2-(2,4-dibromo-6-methylphenoxy)-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide
CID 3382314
N-[5-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-2-phenoxyacetamide
CID 110352302
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 98128992
2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150905
2-(2,4-dibromo-6-methylphenoxy)-N-(2-piperidin-1-ylphenyl)acetamide
CID 4501880
2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093492

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The IUPAC name of N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide (CID 3508884) is N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The canonical SMILES for N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide is Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
The InChIKey is WPUYVIVWJRWAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Br2ClN2O4/c1-12-8-13(24)9-17(25)21(12)32-11-20(29)27-19-7-6-14(10-18(19)26)28-22(30)15-4-2-3-5-16(15)23(28)31/h2-10H,11H2,1H3,(H,27,29).
What are the key properties of N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide?
N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide has a molecular weight of 578.64 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide is sourced from PubChem (CID 3508884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).