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

C17H18FNO4 — CID 18170636

IUPACN-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCCOc2ccccc2F)c1OC
InChIInChI=1S/C17H18FNO4/c1-21-15-9-5-6-12(16(15)22-2)17(20)19-10-11-23-14-8-4-3-7-13(14)18/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyBVJKEDRLQHZNNA-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.65
Rot. Bonds7

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

N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide (PubChem CID 18170636) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide
PubChem CID18170636
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCCOc2ccccc2F)c1OC
InChIInChI=1S/C17H18FNO4/c1-21-15-9-5-6-12(16(15)22-2)17(20)19-10-11-23-14-8-4-3-7-13(14)18/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyBVJKEDRLQHZNNA-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

2-fluoro-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26555567
N-[2-(2,4-difluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102332
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
N-[2-(2-fluorophenoxy)ethyl]-2,5-dimethoxybenzamide
CID 18113619
N-[2-(4-ethylphenoxy)ethyl]-2,3-dimethoxybenzamide
CID 100531701
N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide
CID 921091
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide
CID 24517721
N-[3-(2-bromoethoxy)propyl]-2,3-dimethoxybenzamide
CID 106307155
N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 51065545

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide (CID 18170636) is N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCCOc2ccccc2F)c1OC.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide?
The InChIKey is BVJKEDRLQHZNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-21-15-9-5-6-12(16(15)22-2)17(20)19-10-11-23-14-8-4-3-7-13(14)18/h3-9H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide?
N-[2-(2-fluorophenoxy)ethyl]-2,3-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]-2,3-dimethoxybenzamide is sourced from PubChem (CID 18170636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).