N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide

C17H18FNO3 — CID 2918181

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C17H18FNO3/c1-11(15-10-14(21-2)7-8-16(15)22-3)19-17(20)12-5-4-6-13(18)9-12/h4-11H,1-3H3,(H,19,20)
InChIKeyYXGJQOCVTUIZIY-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.33
Rot. Bonds5

About N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide (PubChem CID 2918181) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
PubChem CID2918181
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C17H18FNO3/c1-11(15-10-14(21-2)7-8-16(15)22-3)19-17(20)12-5-4-6-13(18)9-12/h4-11H,1-3H3,(H,19,20)
InChIKeyYXGJQOCVTUIZIY-UHFFFAOYSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide 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-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212297
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 1323549
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide
CID 60794861
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 42907068
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 43031434
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 18198508
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide (CID 2918181) is N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide is COc1ccc(OC)c(C(C)NC(=O)c2cccc(F)c2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide?
The InChIKey is YXGJQOCVTUIZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-11(15-10-14(21-2)7-8-16(15)22-3)19-17(20)12-5-4-6-13(18)9-12/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide has a molecular weight of 303.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 2918181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).