N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide

C20H24BrNO2 — CID 53268051

IUPACN-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2ccc(CC)cc2Br)cc1
InChIInChI=1S/C20H24BrNO2/c1-3-15-7-10-17(11-8-15)24-13-5-6-20(23)22-19-12-9-16(4-2)14-18(19)21/h7-12,14H,3-6,13H2,1-2H3,(H,22,23)
InChIKeyHVDZTXRRTYNXGG-UHFFFAOYSA-N
MW390.32 g/mol
LogP5.37
Rot. Bonds8

About N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide

N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide (PubChem CID 53268051) has the molecular formula C20H24BrNO2 and a molecular weight of 390.32 g/mol. Its IUPAC name is N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide
PubChem CID53268051
Molecular FormulaC20H24BrNO2
Molecular Weight390.32 g/mol
Exact Mass389.10
IUPAC NameN-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2ccc(CC)cc2Br)cc1
InChIInChI=1S/C20H24BrNO2/c1-3-15-7-10-17(11-8-15)24-13-5-6-20(23)22-19-12-9-16(4-2)14-18(19)21/h7-12,14H,3-6,13H2,1-2H3,(H,22,23)
InChIKeyHVDZTXRRTYNXGG-UHFFFAOYSA-N
XLogP5.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 55.37
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

N-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide
CID 53268050
N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide
CID 53268191
N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide
CID 7695554
N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide
CID 19176294
4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide
CID 19173838
N-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)propanamide
CID 108807316
N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 53267686
N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 53268222
N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide
CID 19184672
N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide
CID 19174107
4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)butanamide
CID 19202481

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide?
The IUPAC name of N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide (CID 53268051) is N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide.
What is the SMILES notation for N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide?
The canonical SMILES for N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide is CCc1ccc(OCCCC(=O)Nc2ccc(CC)cc2Br)cc1.
What is the InChIKey of N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide?
The InChIKey is HVDZTXRRTYNXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO2/c1-3-15-7-10-17(11-8-15)24-13-5-6-20(23)22-19-12-9-16(4-2)14-18(19)21/h7-12,14H,3-6,13H2,1-2H3,(H,22,23).
What are the key properties of N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide?
N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide has a molecular weight of 390.32 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide is sourced from PubChem (CID 53268051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).