4-(2-bromo-4-tert-butylphenoxy)-N-(2-bromo-4-butylphenyl)butanamide

C24H31Br2NO2 — CID 53267642

IUPAC4-(2-bromo-4-tert-butylphenoxy)-N-(2-bromo-4-butylphenyl)butanamide
SMILESCCCCc1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)c(Br)c1
InChIInChI=1S/C24H31Br2NO2/c1-5-6-8-17-10-12-21(19(25)15-17)27-23(28)9-7-14-29-22-13-11-18(16-20(22)26)24(2,3)4/h10-13,15-16H,5-9,14H2,1-4H3,(H,27,28)
InChIKeyLTWIZSGMNGMMOL-UHFFFAOYSA-N
MW525.33 g/mol
LogP7.65
Rot. Bonds9

About 4-(2-bromo-4-tert-butylphenoxy)-N-(2-bromo-4-butylphenyl)butanamide

4-(2-bromo-4-tert-butylphenoxy)-N-(2-bromo-4-butylphenyl)butanamide (PubChem CID 53267642) has the molecular formula C24H31Br2NO2 and a molecular weight of 525.33 g/mol. Its IUPAC name is 4-(2-bromo-4-tert-butylphenoxy)-N-(2-bromo-4-butylphenyl)butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-tert-butylphenoxy)-N-(2-bromo-4-butylphenyl)butanamide
PubChem CID53267642
Molecular FormulaC24H31Br2NO2
Molecular Weight525.33 g/mol
Exact Mass523.07
IUPAC Name4-(2-bromo-4-tert-butylphenoxy)-N-(2-bromo-4-butylphenyl)butanamide
SMILESCCCCc1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)c(Br)c1
InChIInChI=1S/C24H31Br2NO2/c1-5-6-8-17-10-12-21(19(25)15-17)27-23(28)9-7-14-29-22-13-11-18(16-20(22)26)24(2,3)4/h10-13,15-16H,5-9,14H2,1-4H3,(H,27,28)
InChIKeyLTWIZSGMNGMMOL-UHFFFAOYSA-N
XLogP7.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.33
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide
CID 19201575
N-(2-bromo-4-butylphenyl)-3-(4-tert-butylphenyl)propanamide
CID 53267643
N-(2-bromo-4-butylphenyl)-4-(2,4-dimethylphenoxy)butanamide
CID 53267656
4-(2-bromo-4-tert-butylphenoxy)-N-pentylbutanamide
CID 19201307
4-(2-bromo-4-tert-butylphenoxy)-N-phenylbutanamide
CID 19201486
N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 53267686
4-(2-bromo-4-tert-butylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19201525
butyl 3-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]benzoate
CID 19201838
N-(2-bromo-4-butylphenyl)acetamide
CID 23274178
N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)acetamide
CID 53268422
4-(2-bromo-4-tert-butylphenoxy)-N-[4-[(2-cyanoacetyl)amino]phenyl]butanamide
CID 108922519
4-(2-bromo-4-tert-butylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 19202115

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-tert-butylphenoxy)-N-(2-bromo-4-butylphenyl)butanamide?
The IUPAC name of 4-(2-bromo-4-tert-butylphenoxy)-N-(2-bromo-4-butylphenyl)butanamide (CID 53267642) is 4-(2-bromo-4-tert-butylphenoxy)-N-(2-bromo-4-butylphenyl)butanamide.
What is the SMILES notation for 4-(2-bromo-4-tert-butylphenoxy)-N-(2-bromo-4-butylphenyl)butanamide?
The canonical SMILES for 4-(2-bromo-4-tert-butylphenoxy)-N-(2-bromo-4-butylphenyl)butanamide is CCCCc1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-tert-butylphenoxy)-N-(2-bromo-4-butylphenyl)butanamide?
The InChIKey is LTWIZSGMNGMMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31Br2NO2/c1-5-6-8-17-10-12-21(19(25)15-17)27-23(28)9-7-14-29-22-13-11-18(16-20(22)26)24(2,3)4/h10-13,15-16H,5-9,14H2,1-4H3,(H,27,28).
What are the key properties of 4-(2-bromo-4-tert-butylphenoxy)-N-(2-bromo-4-butylphenyl)butanamide?
4-(2-bromo-4-tert-butylphenoxy)-N-(2-bromo-4-butylphenyl)butanamide has a molecular weight of 525.33 g/mol, XLogP of 7.65, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-tert-butylphenoxy)-N-(2-bromo-4-butylphenyl)butanamide is sourced from PubChem (CID 53267642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).