N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide

C17H18FNO4 — CID 113099242

IUPACN-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCOc2cccc(F)c2)c1
InChIInChI=1S/C17H18FNO4/c1-21-15-8-12(9-16(11-15)22-2)17(20)19-6-7-23-14-5-3-4-13(18)10-14/h3-5,8-11H,6-7H2,1-2H3,(H,19,20)
InChIKeyQEMOHJPXUSQXMG-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.65
Rot. Bonds7

About N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide

N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide (PubChem CID 113099242) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide
PubChem CID113099242
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCOc2cccc(F)c2)c1
InChIInChI=1S/C17H18FNO4/c1-21-15-8-12(9-16(11-15)22-2)17(20)19-6-7-23-14-5-3-4-13(18)10-14/h3-5,8-11H,6-7H2,1-2H3,(H,19,20)
InChIKeyQEMOHJPXUSQXMG-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

N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099639
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350054
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
CID 580265
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113101923
N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 35101237
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide
CID 86859541
N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide (CID 113099242) is N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCOc2cccc(F)c2)c1.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is QEMOHJPXUSQXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-21-15-8-12(9-16(11-15)22-2)17(20)19-6-7-23-14-5-3-4-13(18)10-14/h3-5,8-11H,6-7H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide?
N-[2-(3-fluorophenoxy)ethyl]-3,5-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-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 113099242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).