N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide

C17H18FNO4 — CID 51233943

IUPACN-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2cccc(F)c2)cc1OC
InChIInChI=1S/C17H18FNO4/c1-11(23-14-6-4-5-12(18)9-14)17(20)19-13-7-8-15(21-2)16(10-13)22-3/h4-11H,1-3H3,(H,19,20)
InChIKeyBDEBFBFJBHESSC-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.25
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide

N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide (PubChem CID 51233943) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
PubChem CID51233943
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2cccc(F)c2)cc1OC
InChIInChI=1S/C17H18FNO4/c1-11(23-14-6-4-5-12(18)9-14)17(20)19-13-7-8-15(21-2)16(10-13)22-3/h4-11H,1-3H3,(H,19,20)
InChIKeyBDEBFBFJBHESSC-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

methyl N-[3-[2-(3-fluorophenoxy)propanoylamino]phenyl]carbamate
CID 87025785
(2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728755
N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 78762135
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 24511211
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834540
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935769
(2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834470
N-(3-bromophenyl)-2-(3-fluorophenoxy)propanamide
CID 47119298
(2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 2088418
2-(3-fluorophenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide
CID 43991214
(2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 26802583
(2S)-N-(4-ethoxy-3-methoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 39729674

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide (CID 51233943) is N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide is COc1ccc(NC(=O)C(C)Oc2cccc(F)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide?
The InChIKey is BDEBFBFJBHESSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-11(23-14-6-4-5-12(18)9-14)17(20)19-13-7-8-15(21-2)16(10-13)22-3/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide?
N-(3,4-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-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide is sourced from PubChem (CID 51233943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).