N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide

C17H18FNO4 — CID 610361

IUPACN-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCOc2ccccc2F)cc1OC
InChIInChI=1S/C17H18FNO4/c1-21-15-8-7-12(11-16(15)22-2)17(20)19-9-10-23-14-6-4-3-5-13(14)18/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyULTCCABDMVABQP-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.65
Rot. Bonds7

About N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide

N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide (PubChem CID 610361) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
PubChem CID610361
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCOc2ccccc2F)cc1OC
InChIInChI=1S/C17H18FNO4/c1-21-15-8-7-12(11-16(15)22-2)17(20)19-9-10-23-14-6-4-3-5-13(14)18/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyULTCCABDMVABQP-UHFFFAOYSA-N
XLogP2.65
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 113099201
3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide
CID 99099115
N-[2-(2-fluorophenoxy)ethyl]-2,5-dimethoxybenzamide
CID 18113619
2-fluoro-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26555567
N-[2-(2,4-difluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102332
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide
CID 2173279
N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide
CID 4612534
3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide
CID 26976673
N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide
CID 18170636
3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide
CID 4065417
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 46562527

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide (CID 610361) is N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCOc2ccccc2F)cc1OC.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is ULTCCABDMVABQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-21-15-8-7-12(11-16(15)22-2)17(20)19-9-10-23-14-6-4-3-5-13(14)18/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide?
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 319.33 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 610361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).