4-(2-bromo-4-ethylphenoxy)-N-(3-fluorophenyl)butanamide

C18H19BrFNO2 — CID 19202057

IUPAC4-(2-bromo-4-ethylphenoxy)-N-(3-fluorophenyl)butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2cccc(F)c2)c(Br)c1
InChIInChI=1S/C18H19BrFNO2/c1-2-13-8-9-17(16(19)11-13)23-10-4-7-18(22)21-15-6-3-5-14(20)12-15/h3,5-6,8-9,11-12H,2,4,7,10H2,1H3,(H,21,22)
InChIKeyQZIYYXMDBMGGOT-UHFFFAOYSA-N
MW380.26 g/mol
LogP4.95
Rot. Bonds7

About 4-(2-bromo-4-ethylphenoxy)-N-(3-fluorophenyl)butanamide

4-(2-bromo-4-ethylphenoxy)-N-(3-fluorophenyl)butanamide (PubChem CID 19202057) has the molecular formula C18H19BrFNO2 and a molecular weight of 380.26 g/mol. Its IUPAC name is 4-(2-bromo-4-ethylphenoxy)-N-(3-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-ethylphenoxy)-N-(3-fluorophenyl)butanamide
PubChem CID19202057
Molecular FormulaC18H19BrFNO2
Molecular Weight380.26 g/mol
Exact Mass379.06
IUPAC Name4-(2-bromo-4-ethylphenoxy)-N-(3-fluorophenyl)butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2cccc(F)c2)c(Br)c1
InChIInChI=1S/C18H19BrFNO2/c1-2-13-8-9-17(16(19)11-13)23-10-4-7-18(22)21-15-6-3-5-14(20)12-15/h3,5-6,8-9,11-12H,2,4,7,10H2,1H3,(H,21,22)
InChIKeyQZIYYXMDBMGGOT-UHFFFAOYSA-N
XLogP4.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-bromo-4-ethylphenoxy)-N-(3-fluorophenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-bromo-4-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
CID 19201600
2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide
CID 19202087
N-(3-bromophenyl)-4-(4-ethylphenoxy)butanamide
CID 19173838
4-(2-bromo-4-ethylphenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 19202822
methyl 3-bromo-4-[2-(3-fluoroanilino)-2-oxoethoxy]benzoate
CID 36533330
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231336
methyl 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]benzoate
CID 19201785
N-(4-ethylphenyl)-N'-(3-fluorophenyl)propanediamide
CID 108954059
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189191
4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide
CID 19201641
2-(2-bromo-4-ethylphenoxy)-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086692
methyl 3-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]benzoate
CID 19206221

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-ethylphenoxy)-N-(3-fluorophenyl)butanamide?
The IUPAC name of 4-(2-bromo-4-ethylphenoxy)-N-(3-fluorophenyl)butanamide (CID 19202057) is 4-(2-bromo-4-ethylphenoxy)-N-(3-fluorophenyl)butanamide.
What is the SMILES notation for 4-(2-bromo-4-ethylphenoxy)-N-(3-fluorophenyl)butanamide?
The canonical SMILES for 4-(2-bromo-4-ethylphenoxy)-N-(3-fluorophenyl)butanamide is CCc1ccc(OCCCC(=O)Nc2cccc(F)c2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-ethylphenoxy)-N-(3-fluorophenyl)butanamide?
The InChIKey is QZIYYXMDBMGGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFNO2/c1-2-13-8-9-17(16(19)11-13)23-10-4-7-18(22)21-15-6-3-5-14(20)12-15/h3,5-6,8-9,11-12H,2,4,7,10H2,1H3,(H,21,22).
What are the key properties of 4-(2-bromo-4-ethylphenoxy)-N-(3-fluorophenyl)butanamide?
4-(2-bromo-4-ethylphenoxy)-N-(3-fluorophenyl)butanamide has a molecular weight of 380.26 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-ethylphenoxy)-N-(3-fluorophenyl)butanamide is sourced from PubChem (CID 19202057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).