N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide

C17H18FNO2 — CID 51065545

IUPACN-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide
SMILESCc1cccc(OCCNC(=O)c2ccccc2F)c1C
InChIInChI=1S/C17H18FNO2/c1-12-6-5-9-16(13(12)2)21-11-10-19-17(20)14-7-3-4-8-15(14)18/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyJVIOWVANRVWTOR-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.25
Rot. Bonds5

About N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide

N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide (PubChem CID 51065545) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide
PubChem CID51065545
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide
SMILESCc1cccc(OCCNC(=O)c2ccccc2F)c1C
InChIInChI=1S/C17H18FNO2/c1-12-6-5-9-16(13(12)2)21-11-10-19-17(20)14-7-3-4-8-15(14)18/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyJVIOWVANRVWTOR-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

2-fluoro-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26555567
N-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide
CID 37362583
N-[2-(2-fluorophenoxy)ethyl]-3-methyl-2-nitrobenzamide
CID 18113554
2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide
CID 113101791
3-bromo-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide
CID 113100932
N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide
CID 18170636
ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate
CID 113100948
2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 52706556
N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-fluorobenzamide
CID 17344053
3,4-dichloro-N-[2-(2,3-dimethylphenoxy)ethyl]benzamide
CID 113100933
N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzamide
CID 51065574
N-[2-(2,6-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 17386421

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide (CID 51065545) is N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide is Cc1cccc(OCCNC(=O)c2ccccc2F)c1C.
What is the InChIKey of N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide?
The InChIKey is JVIOWVANRVWTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-6-5-9-16(13(12)2)21-11-10-19-17(20)14-7-3-4-8-15(14)18/h3-9H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide?
N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide 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-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 51065545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).