2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide

C17H18FNO3 — CID 113101791

IUPAC2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide
SMILESCOc1cc(C)ccc1OCCNC(=O)c1ccccc1F
InChIInChI=1S/C17H18FNO3/c1-12-7-8-15(16(11-12)21-2)22-10-9-19-17(20)13-5-3-4-6-14(13)18/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyVMSJNZQIQMWVRE-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.95
Rot. Bonds6

About 2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide

2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide (PubChem CID 113101791) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide
PubChem CID113101791
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide
SMILESCOc1cc(C)ccc1OCCNC(=O)c1ccccc1F
InChIInChI=1S/C17H18FNO3/c1-12-7-8-15(16(11-12)21-2)22-10-9-19-17(20)13-5-3-4-6-14(13)18/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyVMSJNZQIQMWVRE-UHFFFAOYSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-fluorophenoxy)ethyl]-2,5-dimethoxybenzamide
CID 18113619
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009457
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102932
N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18120320
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 46977351
N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide
CID 31336337
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 31448668
N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 51065545
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55975456

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide (CID 113101791) is 2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide is COc1cc(C)ccc1OCCNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide?
The InChIKey is VMSJNZQIQMWVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-12-7-8-15(16(11-12)21-2)22-10-9-19-17(20)13-5-3-4-6-14(13)18/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of 2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide?
2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide has a molecular weight of 303.33 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 113101791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).