N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide

C19H21F2NO2 — CID 134056622

IUPACN-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C19H21F2NO2/c20-16-6-3-15(4-7-16)5-12-19(23)22-13-1-2-14-24-18-10-8-17(21)9-11-18/h3-4,6-11H,1-2,5,12-14H2,(H,22,23)
InChIKeyHBVSOOULPOIHLM-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.87
Rot. Bonds9

About N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide

N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide (PubChem CID 134056622) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
PubChem CID134056622
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C19H21F2NO2/c20-16-6-3-15(4-7-16)5-12-19(23)22-13-1-2-14-24-18-10-8-17(21)9-11-18/h3-4,6-11H,1-2,5,12-14H2,(H,22,23)
InChIKeyHBVSOOULPOIHLM-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide 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-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703
2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide
CID 42572295
3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318784
6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid
CID 43352869
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 86874580
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353
2-(4-acetamidophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide
CID 42572371
4-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]butanoic acid
CID 10157665
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide
CID 78830111

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide (CID 134056622) is N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide is O=C(CCc1ccc(F)cc1)NCCCCOc1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is HBVSOOULPOIHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2/c20-16-6-3-15(4-7-16)5-12-19(23)22-13-1-2-14-24-18-10-8-17(21)9-11-18/h3-4,6-11H,1-2,5,12-14H2,(H,22,23).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide?
N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 333.38 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 134056622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).