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

C18H19BrClNO2 — CID 53268050

IUPACN-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide
SMILESCCc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C18H19BrClNO2/c1-2-13-5-10-17(16(19)12-13)21-18(22)4-3-11-23-15-8-6-14(20)7-9-15/h5-10,12H,2-4,11H2,1H3,(H,21,22)
InChIKeyIJLMKTLCGMBGRF-UHFFFAOYSA-N
MW396.71 g/mol
LogP5.46
Rot. Bonds7

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

N-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide (PubChem CID 53268050) has the molecular formula C18H19BrClNO2 and a molecular weight of 396.71 g/mol. Its IUPAC name is N-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide.

Molecular Properties

Compound NameN-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide
PubChem CID53268050
Molecular FormulaC18H19BrClNO2
Molecular Weight396.71 g/mol
Exact Mass395.03
IUPAC NameN-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide
SMILESCCc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C18H19BrClNO2/c1-2-13-5-10-17(16(19)12-13)21-18(22)4-3-11-23-15-8-6-14(20)7-9-15/h5-10,12H,2-4,11H2,1H3,(H,21,22)
InChIKeyIJLMKTLCGMBGRF-UHFFFAOYSA-N
XLogP5.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.71
LogP ≤ 55.46
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-ethylphenoxy)butanamide
CID 53268051
N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide
CID 19176294
N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide
CID 53268191
N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide
CID 19184672
N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide
CID 7695554
3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide
CID 81252231
N-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)propanamide
CID 108807316
N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide
CID 81263840
4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 53267686
N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide
CID 19173838
N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 53268222

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide?
The IUPAC name of N-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide (CID 53268050) is N-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide.
What is the SMILES notation for N-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide?
The canonical SMILES for N-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide is CCc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide?
The InChIKey is IJLMKTLCGMBGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO2/c1-2-13-5-10-17(16(19)12-13)21-18(22)4-3-11-23-15-8-6-14(20)7-9-15/h5-10,12H,2-4,11H2,1H3,(H,21,22).
What are the key properties of N-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide?
N-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide has a molecular weight of 396.71 g/mol, XLogP of 5.46, 7 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-chlorophenoxy)butanamide is sourced from PubChem (CID 53268050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).