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

C17H18FNO2 — CID 37362583

IUPACN-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCCOc2ccc(F)cc2)c1C
InChIInChI=1S/C17H18FNO2/c1-12-4-3-5-16(13(12)2)17(20)19-10-11-21-15-8-6-14(18)7-9-15/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeySBGSFXWBLGZLTR-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.25
Rot. Bonds5

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

N-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide (PubChem CID 37362583) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide
PubChem CID37362583
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCCOc2ccc(F)cc2)c1C
InChIInChI=1S/C17H18FNO2/c1-12-4-3-5-16(13(12)2)17(20)19-10-11-21-15-8-6-14(18)7-9-15/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeySBGSFXWBLGZLTR-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 51065545
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30865871
4-[4-[[(2,3-dimethylbenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119246992
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 37362690
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide
CID 32644414
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide
CID 39384704
N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8530728
N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8935922
2,4-difluoro-N-(2-phenoxyethyl)benzamide
CID 26676947

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide (CID 37362583) is N-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)NCCOc2ccc(F)cc2)c1C.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide?
The InChIKey is SBGSFXWBLGZLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-4-3-5-16(13(12)2)17(20)19-10-11-21-15-8-6-14(18)7-9-15/h3-9H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide?
N-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide has a molecular weight of 287.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 37362583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).