N-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide

C21H18FNO3 — CID 54788417

IUPACN-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C21H18FNO3/c22-17-5-4-6-18(15-17)23-21(24)16-9-11-20(12-10-16)26-14-13-25-19-7-2-1-3-8-19/h1-12,15H,13-14H2,(H,23,24)
InChIKeyUYQSFTVAUKXLJF-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.54
Rot. Bonds7

About N-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide

N-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide (PubChem CID 54788417) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide
PubChem CID54788417
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC NameN-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C21H18FNO3/c22-17-5-4-6-18(15-17)23-21(24)16-9-11-20(12-10-16)26-14-13-25-19-7-2-1-3-8-19/h1-12,15H,13-14H2,(H,23,24)
InChIKeyUYQSFTVAUKXLJF-UHFFFAOYSA-N
XLogP4.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide 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-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17188307
4-bromo-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 54791265
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 17169886
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 54781369
N-(3-fluorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650951
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide (CID 54788417) is N-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide is O=C(Nc1cccc(F)c1)c1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide?
The InChIKey is UYQSFTVAUKXLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c22-17-5-4-6-18(15-17)23-21(24)16-9-11-20(12-10-16)26-14-13-25-19-7-2-1-3-8-19/h1-12,15H,13-14H2,(H,23,24).
What are the key properties of N-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide?
N-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide has a molecular weight of 351.38 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 54788417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).