2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide

C17H17F2NO3 — CID 87005454

IUPAC2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
SMILESCOCCOc1cccc(CNC(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C17H17F2NO3/c1-22-7-8-23-14-4-2-3-12(9-14)11-20-17(21)15-10-13(18)5-6-16(15)19/h2-6,9-10H,7-8,11H2,1H3,(H,20,21)
InChIKeyNXJSKZDAVACPGQ-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.92
Rot. Bonds7

About 2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide

2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide (PubChem CID 87005454) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is 2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
PubChem CID87005454
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC Name2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
SMILESCOCCOc1cccc(CNC(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C17H17F2NO3/c1-22-7-8-23-14-4-2-3-12(9-14)11-20-17(21)15-10-13(18)5-6-16(15)19/h2-6,9-10H,7-8,11H2,1H3,(H,20,21)
InChIKeyNXJSKZDAVACPGQ-UHFFFAOYSA-N
XLogP2.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-fluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 166179858
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761695
2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 87017985
2-benzyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801218
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 110779927
4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 56920573
6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide
CID 55881590
5-[[3-(2-methoxyethoxy)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120688954
5-amino-2-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 61138112
2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136692

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide (CID 87005454) is 2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide is COCCOc1cccc(CNC(=O)c2cc(F)ccc2F)c1.
What is the InChIKey of 2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide?
The InChIKey is NXJSKZDAVACPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-22-7-8-23-14-4-2-3-12(9-14)11-20-17(21)15-10-13(18)5-6-16(15)19/h2-6,9-10H,7-8,11H2,1H3,(H,20,21).
What are the key properties of 2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide?
2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide has a molecular weight of 321.32 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 87005454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).