4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide

C18H17BrFNO3 — CID 2105244

IUPAC4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C18H17BrFNO3/c1-12(22)13-4-7-15(8-5-13)24-10-2-3-18(23)21-17-9-6-14(19)11-16(17)20/h4-9,11H,2-3,10H2,1H3,(H,21,23)
InChIKeyFRVDZQKSTSGESW-UHFFFAOYSA-N
MW394.24 g/mol
LogP4.59
Rot. Bonds7

About 4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide

4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide (PubChem CID 2105244) has the molecular formula C18H17BrFNO3 and a molecular weight of 394.24 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide
PubChem CID2105244
Molecular FormulaC18H17BrFNO3
Molecular Weight394.24 g/mol
Exact Mass393.04
IUPAC Name4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C18H17BrFNO3/c1-12(22)13-4-7-15(8-5-13)24-10-2-3-18(23)21-17-9-6-14(19)11-16(17)20/h4-9,11H,2-3,10H2,1H3,(H,21,23)
InChIKeyFRVDZQKSTSGESW-UHFFFAOYSA-N
XLogP4.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.24
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-acetylphenoxy)-N-(4-bromo-2-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

N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide
CID 2711543
4-(4-bromophenoxy)-N-(2,4-difluorophenyl)butanamide
CID 3411864
N-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)propanamide
CID 108807316
4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide
CID 78769431
3-[4-(4-acetylphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide
CID 78886176
4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide
CID 2526499
4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide
CID 26360943
N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide
CID 134059439
4-(4-acetylphenoxy)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylbutanamide
CID 26904768
N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide
CID 2711563
N-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 53267566
4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 2634671

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide (CID 2105244) is 4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide is CC(=O)c1ccc(OCCCC(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide?
The InChIKey is FRVDZQKSTSGESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFNO3/c1-12(22)13-4-7-15(8-5-13)24-10-2-3-18(23)21-17-9-6-14(19)11-16(17)20/h4-9,11H,2-3,10H2,1H3,(H,21,23).
What are the key properties of 4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide?
4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide has a molecular weight of 394.24 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide is sourced from PubChem (CID 2105244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).