2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-bromophenoxy]acetamide

C32H35BrN2O4 — CID 126271539

IUPAC2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-bromophenoxy]acetamide
SMILESCC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCC(N)=O)c(Br)c1
InChIInChI=1S/C32H35BrN2O4/c1-31(2)13-22-29(24(36)15-31)28(20-10-11-26(21(33)12-20)39-18-27(34)38)30-23(14-32(3,4)16-25(30)37)35(22)17-19-8-6-5-7-9-19/h5-12,28H,13-18H2,1-4H3,(H2,34,38)
InChIKeyHVZVVPYVIPLVTD-UHFFFAOYSA-N
MW591.55 g/mol
LogP6.20
Rot. Bonds6

About 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-bromophenoxy]acetamide

2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-bromophenoxy]acetamide (PubChem CID 126271539) has the molecular formula C32H35BrN2O4 and a molecular weight of 591.55 g/mol. Its IUPAC name is 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-bromophenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-bromophenoxy]acetamide
PubChem CID126271539
Molecular FormulaC32H35BrN2O4
Molecular Weight591.55 g/mol
Exact Mass590.18
IUPAC Name2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-bromophenoxy]acetamide
SMILESCC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCC(N)=O)c(Br)c1
InChIInChI=1S/C32H35BrN2O4/c1-31(2)13-22-29(24(36)15-31)28(20-10-11-26(21(33)12-20)39-18-27(34)38)30-23(14-32(3,4)16-25(30)37)35(22)17-19-8-6-5-7-9-19/h5-12,28H,13-18H2,1-4H3,(H2,34,38)
InChIKeyHVZVVPYVIPLVTD-UHFFFAOYSA-N
XLogP6.20
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.55
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-bromophenoxy]acetamide with MolForge

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Related Compounds

2-[2-bromo-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetic acid
CID 126077245
2-[2-bromo-4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenoxy]acetamide
CID 126228377
2-[2-bromo-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 126262446
2-[2-bromo-6-methoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide
CID 126271844
2-[9-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid
CID 4764314
2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 126277737
2-[2,6-dibromo-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126233280
3-[9-(3-bromo-4-ethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]propanoic acid
CID 126071071
3-[9-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]propanoic acid
CID 126075511
2-[2-bromo-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126260910
10-benzyl-9-(3,5-dibromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 126053807
4-[[2-bromo-4-[10-(2-carboxyethyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]methyl]benzoic acid
CID 126072642

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-bromophenoxy]acetamide?
The IUPAC name of 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-bromophenoxy]acetamide (CID 126271539) is 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-bromophenoxy]acetamide.
What is the SMILES notation for 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-bromophenoxy]acetamide?
The canonical SMILES for 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-bromophenoxy]acetamide is CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCC(N)=O)c(Br)c1.
What is the InChIKey of 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-bromophenoxy]acetamide?
The InChIKey is HVZVVPYVIPLVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35BrN2O4/c1-31(2)13-22-29(24(36)15-31)28(20-10-11-26(21(33)12-20)39-18-27(34)38)30-23(14-32(3,4)16-25(30)37)35(22)17-19-8-6-5-7-9-19/h5-12,28H,13-18H2,1-4H3,(H2,34,38).
What are the key properties of 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-bromophenoxy]acetamide?
2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-bromophenoxy]acetamide has a molecular weight of 591.55 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-bromophenoxy]acetamide is sourced from PubChem (CID 126271539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).