4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide

C18H17ClFNO3 — CID 2634671

IUPAC4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H17ClFNO3/c1-12(22)13-4-7-15(8-5-13)24-10-2-3-18(23)21-14-6-9-17(20)16(19)11-14/h4-9,11H,2-3,10H2,1H3,(H,21,23)
InChIKeyMYPNHHTYCCMZHX-UHFFFAOYSA-N
MW349.79 g/mol
LogP4.48
Rot. Bonds7

About 4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide

4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide (PubChem CID 2634671) has the molecular formula C18H17ClFNO3 and a molecular weight of 349.79 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
PubChem CID2634671
Molecular FormulaC18H17ClFNO3
Molecular Weight349.79 g/mol
Exact Mass349.09
IUPAC Name4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H17ClFNO3/c1-12(22)13-4-7-15(8-5-13)24-10-2-3-18(23)21-14-6-9-17(20)16(19)11-14/h4-9,11H,2-3,10H2,1H3,(H,21,23)
InChIKeyMYPNHHTYCCMZHX-UHFFFAOYSA-N
XLogP4.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 54.48
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-(3-chloro-4-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

[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 31654142
N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 9165977
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide
CID 7973711
4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
CID 3442191
4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide
CID 27364869
methyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7741287
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9079945
4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide
CID 78769431
4-[4-(4-acetylphenoxy)butanoylamino]-2-chloro-N-[2-(dimethylamino)ethyl]benzamide
CID 71911956
N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide
CID 4950672
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide (CID 2634671) is 4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide is CC(=O)c1ccc(OCCCC(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide?
The InChIKey is MYPNHHTYCCMZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO3/c1-12(22)13-4-7-15(8-5-13)24-10-2-3-18(23)21-14-6-9-17(20)16(19)11-14/h4-9,11H,2-3,10H2,1H3,(H,21,23).
What are the key properties of 4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide?
4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide has a molecular weight of 349.79 g/mol, XLogP of 4.48, 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-(3-chloro-4-fluorophenyl)butanamide is sourced from PubChem (CID 2634671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).