N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)acetamide

C21H26BrNO2 — CID 53268422

IUPACN-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)Nc2ccc(C(C)(C)C)cc2Br)cc1
InChIInChI=1S/C21H26BrNO2/c1-5-6-15-7-10-17(11-8-15)25-14-20(24)23-19-12-9-16(13-18(19)22)21(2,3)4/h7-13H,5-6,14H2,1-4H3,(H,23,24)
InChIKeyGZRVGGDTLXOSKS-UHFFFAOYSA-N
MW404.35 g/mol
LogP5.72
Rot. Bonds6

About N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)acetamide

N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)acetamide (PubChem CID 53268422) has the molecular formula C21H26BrNO2 and a molecular weight of 404.35 g/mol. Its IUPAC name is N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)acetamide
PubChem CID53268422
Molecular FormulaC21H26BrNO2
Molecular Weight404.35 g/mol
Exact Mass403.11
IUPAC NameN-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)Nc2ccc(C(C)(C)C)cc2Br)cc1
InChIInChI=1S/C21H26BrNO2/c1-5-6-15-7-10-17(11-8-15)25-14-20(24)23-19-12-9-16(13-18(19)22)21(2,3)4/h7-13H,5-6,14H2,1-4H3,(H,23,24)
InChIKeyGZRVGGDTLXOSKS-UHFFFAOYSA-N
XLogP5.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.35
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-2-(4-propylphenoxy)acetamide
CID 19180395
N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)propanamide
CID 53268285
N-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide
CID 53268539
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propylphenoxy)acetamide
CID 19172179
N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 3872466
4-(2-bromo-4-tert-butylphenoxy)-N-(2-bromo-4-butylphenyl)butanamide
CID 53267642
N-(2-bromo-4-butylphenyl)-3-(4-tert-butylphenyl)propanamide
CID 53267643
N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 53268222
N-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91689000
N-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide
CID 19180504
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
N-(2-bromo-4-tert-butylphenyl)-3-chloropropanamide
CID 53268048

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)acetamide (CID 53268422) is N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)Nc2ccc(C(C)(C)C)cc2Br)cc1.
What is the InChIKey of N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)acetamide?
The InChIKey is GZRVGGDTLXOSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO2/c1-5-6-15-7-10-17(11-8-15)25-14-20(24)23-19-12-9-16(13-18(19)22)21(2,3)4/h7-13H,5-6,14H2,1-4H3,(H,23,24).
What are the key properties of N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)acetamide?
N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)acetamide has a molecular weight of 404.35 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 53268422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).