2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide

C17H18FNO4 — CID 87026628

IUPAC2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide
SMILESCOCCOc1cccc(NC(=O)c2ccc(OC)cc2F)c1
InChIInChI=1S/C17H18FNO4/c1-21-8-9-23-14-5-3-4-12(10-14)19-17(20)15-7-6-13(22-2)11-16(15)18/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChIKeyKEUCYGXOVTWSGS-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.11
Rot. Bonds7

About 2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide

2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide (PubChem CID 87026628) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide
PubChem CID87026628
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide
SMILESCOCCOc1cccc(NC(=O)c2ccc(OC)cc2F)c1
InChIInChI=1S/C17H18FNO4/c1-21-8-9-23-14-5-3-4-12(10-14)19-17(20)15-7-6-13(22-2)11-16(15)18/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChIKeyKEUCYGXOVTWSGS-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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

2-fluoro-4-methoxy-N-(3-propoxyphenyl)benzamide
CID 86981158
N-[3-(chloromethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885170
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 103804947
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
2,4-difluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17178097
2,4-dimethoxy-N-(3-propoxyphenyl)benzamide
CID 34372962
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide
CID 87006864
2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 27843918
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide (CID 87026628) is 2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide is COCCOc1cccc(NC(=O)c2ccc(OC)cc2F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide?
The InChIKey is KEUCYGXOVTWSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-21-8-9-23-14-5-3-4-12(10-14)19-17(20)15-7-6-13(22-2)11-16(15)18/h3-7,10-11H,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide?
2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide has a molecular weight of 319.33 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide is sourced from PubChem (CID 87026628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).