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

C30H34Br2N2O4 — CID 17350659

IUPAC2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3Br)cc2)c(Br)c1
InChIInChI=1S/C30H34Br2N2O4/c1-29(2,3)19-7-13-25(23(31)15-19)37-17-27(35)33-21-9-11-22(12-10-21)34-28(36)18-38-26-14-8-20(16-24(26)32)30(4,5)6/h7-16H,17-18H2,1-6H3,(H,33,35)(H,34,36)
InChIKeyQQFNSVPCXDRMFD-UHFFFAOYSA-N
MW646.42 g/mol
LogP7.84
Rot. Bonds8

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

2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide (PubChem CID 17350659) has the molecular formula C30H34Br2N2O4 and a molecular weight of 646.42 g/mol. Its IUPAC name is 2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide
PubChem CID17350659
Molecular FormulaC30H34Br2N2O4
Molecular Weight646.42 g/mol
Exact Mass644.09
IUPAC Name2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3Br)cc2)c(Br)c1
InChIInChI=1S/C30H34Br2N2O4/c1-29(2,3)19-7-13-25(23(31)15-19)37-17-27(35)33-21-9-11-22(12-10-21)34-28(36)18-38-26-14-8-20(16-24(26)32)30(4,5)6/h7-16H,17-18H2,1-6H3,(H,33,35)(H,34,36)
InChIKeyQQFNSVPCXDRMFD-UHFFFAOYSA-N
XLogP7.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.42
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

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-[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
3-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]benzoic acid
CID 54855870
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
3-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 17231891
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17350098
1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide
CID 4922528
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 4922414

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide (CID 17350659) is 2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3Br)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide?
The InChIKey is QQFNSVPCXDRMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34Br2N2O4/c1-29(2,3)19-7-13-25(23(31)15-19)37-17-27(35)33-21-9-11-22(12-10-21)34-28(36)18-38-26-14-8-20(16-24(26)32)30(4,5)6/h7-16H,17-18H2,1-6H3,(H,33,35)(H,34,36).
What are the key properties of 2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide?
2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide has a molecular weight of 646.42 g/mol, XLogP of 7.84, 8 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-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 17350659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).