3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide

C18H20FNO4 — CID 113096429

IUPAC3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(CCNC(=O)c2cccc(F)c2)c(OC)c(OC)c1
InChIInChI=1S/C18H20FNO4/c1-22-15-10-12(17(24-3)16(11-15)23-2)7-8-20-18(21)13-5-4-6-14(19)9-13/h4-6,9-11H,7-8H2,1-3H3,(H,20,21)
InChIKeyIWIKKAYODLFRLQ-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.82
Rot. Bonds7

About 3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide

3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide (PubChem CID 113096429) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide
PubChem CID113096429
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC Name3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(CCNC(=O)c2cccc(F)c2)c(OC)c(OC)c1
InChIInChI=1S/C18H20FNO4/c1-22-15-10-12(17(24-3)16(11-15)23-2)7-8-20-18(21)13-5-4-6-14(19)9-13/h4-6,9-11H,7-8H2,1-3H3,(H,20,21)
InChIKeyIWIKKAYODLFRLQ-UHFFFAOYSA-N
XLogP2.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]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

3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide
CID 113096442
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 110601130
3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 110795180
3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 108542879
3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide
CID 113084619
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide
CID 110788169
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317449
3-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115321
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 110408855
N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110605237
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 49408941

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide (CID 113096429) is 3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide is COc1cc(CCNC(=O)c2cccc(F)c2)c(OC)c(OC)c1.
What is the InChIKey of 3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide?
The InChIKey is IWIKKAYODLFRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-22-15-10-12(17(24-3)16(11-15)23-2)7-8-20-18(21)13-5-4-6-14(19)9-13/h4-6,9-11H,7-8H2,1-3H3,(H,20,21).
What are the key properties of 3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide?
3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide has a molecular weight of 333.36 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 113096429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).