N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide

C17H18FNO4 — CID 78762135

IUPACN-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)Oc2cccc(F)c2)c1
InChIInChI=1S/C17H18FNO4/c1-11(23-14-6-4-5-12(18)9-14)17(20)19-15-10-13(21-2)7-8-16(15)22-3/h4-11H,1-3H3,(H,19,20)
InChIKeyASSMHWMWHSRNFM-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.25
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide

N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide (PubChem CID 78762135) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
PubChem CID78762135
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)Oc2cccc(F)c2)c1
InChIInChI=1S/C17H18FNO4/c1-11(23-14-6-4-5-12(18)9-14)17(20)19-15-10-13(21-2)7-8-16(15)22-3/h4-11H,1-3H3,(H,19,20)
InChIKeyASSMHWMWHSRNFM-UHFFFAOYSA-N
XLogP3.25
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834540
2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4319209
(2R)-N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 890330
2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 78760166
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 51233943
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide
CID 17360519
2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 19203871
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 890913
N-(2-ethylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86918484
N-(2-butoxy-5-methoxyphenyl)-2-(4-fluorophenoxy)propanamide
CID 46437000
N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 5013709

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide (CID 78762135) is N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide is COc1ccc(OC)c(NC(=O)C(C)Oc2cccc(F)c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide?
The InChIKey is ASSMHWMWHSRNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-11(23-14-6-4-5-12(18)9-14)17(20)19-15-10-13(21-2)7-8-16(15)22-3/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide?
N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide has a molecular weight of 319.33 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide is sourced from PubChem (CID 78762135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).