2-(2-bromo-4-tert-butylphenoxy)-N-[4-[9-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide

C49H46Br2N2O4 — CID 17350672

IUPAC2-(2-bromo-4-tert-butylphenoxy)-N-[4-[9-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(C3(c4ccc(NC(=O)COc5ccc(C(C)(C)C)cc5Br)cc4)c4ccccc4-c4ccccc43)cc2)c(Br)c1
InChIInChI=1S/C49H46Br2N2O4/c1-47(2,3)33-19-25-43(41(50)27-33)56-29-45(54)52-35-21-15-31(16-22-35)49(39-13-9-7-11-37(39)38-12-8-10-14-40(38)49)32-17-23-36(24-18-32)53-46(55)30-57-44-26-20-34(28-42(44)51)48(4,5)6/h7-28H,29-30H2,1-6H3,(H,52,54)(H,53,55)
InChIKeyIXYSQDQYHRBXER-UHFFFAOYSA-N
MW886.72 g/mol
LogP12.20
Rot. Bonds10

About 2-(2-bromo-4-tert-butylphenoxy)-N-[4-[9-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide

2-(2-bromo-4-tert-butylphenoxy)-N-[4-[9-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide (PubChem CID 17350672) has the molecular formula C49H46Br2N2O4 and a molecular weight of 886.72 g/mol. Its IUPAC name is 2-(2-bromo-4-tert-butylphenoxy)-N-[4-[9-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-tert-butylphenoxy)-N-[4-[9-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide
PubChem CID17350672
Molecular FormulaC49H46Br2N2O4
Molecular Weight886.72 g/mol
Exact Mass884.18
IUPAC Name2-(2-bromo-4-tert-butylphenoxy)-N-[4-[9-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(C3(c4ccc(NC(=O)COc5ccc(C(C)(C)C)cc5Br)cc4)c4ccccc4-c4ccccc43)cc2)c(Br)c1
InChIInChI=1S/C49H46Br2N2O4/c1-47(2,3)33-19-25-43(41(50)27-33)56-29-45(54)52-35-21-15-31(16-22-35)49(39-13-9-7-11-37(39)38-12-8-10-14-40(38)49)32-17-23-36(24-18-32)53-46(55)30-57-44-26-20-34(28-42(44)51)48(4,5)6/h7-28H,29-30H2,1-6H3,(H,52,54)(H,53,55)
InChIKeyIXYSQDQYHRBXER-UHFFFAOYSA-N
XLogP12.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.72
LogP ≤ 512.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-4-tert-butylphenoxy)-N-[4-[9-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide with MolForge

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Related Compounds

2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide
CID 17350659
N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]butanamide
CID 17202547
N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]-3-methylbutanamide
CID 17194089
2-(2-bromo-4-tert-butylphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 17350184
N-[4-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-tert-butylphenoxy)acetamide
CID 17350095
3-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]benzoic acid
CID 54855870
3-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780608
2-(2-bromo-4-tert-butylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100513139
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17350098
2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 17350300
2-(2-bromo-4-tert-butylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086768
4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide
CID 19201486

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-[4-[9-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-[4-[9-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide (CID 17350672) is 2-(2-bromo-4-tert-butylphenoxy)-N-[4-[9-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-tert-butylphenoxy)-N-[4-[9-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-tert-butylphenoxy)-N-[4-[9-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C3(c4ccc(NC(=O)COc5ccc(C(C)(C)C)cc5Br)cc4)c4ccccc4-c4ccccc43)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-tert-butylphenoxy)-N-[4-[9-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide?
The InChIKey is IXYSQDQYHRBXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H46Br2N2O4/c1-47(2,3)33-19-25-43(41(50)27-33)56-29-45(54)52-35-21-15-31(16-22-35)49(39-13-9-7-11-37(39)38-12-8-10-14-40(38)49)32-17-23-36(24-18-32)53-46(55)30-57-44-26-20-34(28-42(44)51)48(4,5)6/h7-28H,29-30H2,1-6H3,(H,52,54)(H,53,55).
What are the key properties of 2-(2-bromo-4-tert-butylphenoxy)-N-[4-[9-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide?
2-(2-bromo-4-tert-butylphenoxy)-N-[4-[9-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide has a molecular weight of 886.72 g/mol, XLogP of 12.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-tert-butylphenoxy)-N-[4-[9-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide is sourced from PubChem (CID 17350672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).