N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide

C30H29Br2ClN2O4 — CID 126260419

IUPACN-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide
SMILESCCN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)C2=C1CCCC2=O
InChIInChI=1S/C30H29Br2ClN2O4/c1-3-35-22-6-4-8-24(36)28(22)27(29-23(35)7-5-9-25(29)37)19-12-17(31)13-20(32)30(19)39-15-26(38)34-18-11-10-16(2)21(33)14-18/h10-14,27H,3-9,15H2,1-2H3,(H,34,38)
InChIKeyIAOHYTSHVDCFAN-UHFFFAOYSA-N
MW676.83 g/mol
LogP7.62
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide

N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide (PubChem CID 126260419) has the molecular formula C30H29Br2ClN2O4 and a molecular weight of 676.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide
PubChem CID126260419
Molecular FormulaC30H29Br2ClN2O4
Molecular Weight676.83 g/mol
Exact Mass674.02
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide
SMILESCCN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)C2=C1CCCC2=O
InChIInChI=1S/C30H29Br2ClN2O4/c1-3-35-22-6-4-8-24(36)28(22)27(29-23(35)7-5-9-25(29)37)19-12-17(31)13-20(32)30(19)39-15-26(38)34-18-11-10-16(2)21(33)14-18/h10-14,27H,3-9,15H2,1-2H3,(H,34,38)
InChIKeyIAOHYTSHVDCFAN-UHFFFAOYSA-N
XLogP7.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.83
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-2-[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126279084
2-[2,6-dichloro-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126270664
4-[[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]methyl]benzoic acid
CID 126078364
2-[2-bromo-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide
CID 126231423
2-[2,6-dibromo-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 126273193
2-[4-chloro-2-(10-methyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126278154
2-[2-bromo-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 1006852
2-[2,4-dibromo-6-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenoxy]-N-phenylacetamide
CID 126267362
2-[2-bromo-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-6-methoxyphenoxy]-N-methylacetamide;1-chloro-2-methylbenzene
CID 46741701
2-[2-chloro-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 1006854
2-[2-bromo-6-ethoxy-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-phenylacetamide
CID 126271386
2-[2,4-dibromo-6-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126274385

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide (CID 126260419) is N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide is CCN1C2=C(C(=O)CCC2)C(c2cc(Br)cc(Br)c2OCC(=O)Nc2ccc(C)c(Cl)c2)C2=C1CCCC2=O.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide?
The InChIKey is IAOHYTSHVDCFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29Br2ClN2O4/c1-3-35-22-6-4-8-24(36)28(22)27(29-23(35)7-5-9-25(29)37)19-12-17(31)13-20(32)30(19)39-15-26(38)34-18-11-10-16(2)21(33)14-18/h10-14,27H,3-9,15H2,1-2H3,(H,34,38).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide?
N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide has a molecular weight of 676.83 g/mol, XLogP of 7.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]acetamide is sourced from PubChem (CID 126260419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).