3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide

C22H20F2N2O3 — CID 55800518

IUPAC3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc1F
InChIInChI=1S/C22H20F2N2O3/c1-28-20-9-2-15(12-19(20)24)3-10-21(27)25-13-16-4-11-22(26-14-16)29-18-7-5-17(23)6-8-18/h2,4-9,11-12,14H,3,10,13H2,1H3,(H,25,27)
InChIKeySUMDWYRRKVNRCE-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.41
Rot. Bonds8

About 3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide

3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide (PubChem CID 55800518) has the molecular formula C22H20F2N2O3 and a molecular weight of 398.41 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide
PubChem CID55800518
Molecular FormulaC22H20F2N2O3
Molecular Weight398.41 g/mol
Exact Mass398.14
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc1F
InChIInChI=1S/C22H20F2N2O3/c1-28-20-9-2-15(12-19(20)24)3-10-21(27)25-13-16-4-11-22(26-14-16)29-18-7-5-17(23)6-8-18/h2,4-9,11-12,14H,3,10,13H2,1H3,(H,25,27)
InChIKeySUMDWYRRKVNRCE-UHFFFAOYSA-N
XLogP4.41
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide with MolForge

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Related Compounds

N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 55743125
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-3-nitrobenzamide
CID 55800772
N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275994
3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003498
3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
1-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111232698
2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid
CID 75429383
(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119847800
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
CID 55800859
methyl 4-[(3-fluoro-4-methoxyphenyl)methylamino]-4-oxobutanoate
CID 94696051
3-(3-fluoro-4-methoxyphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430182
1-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111171350

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide (CID 55800518) is 3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide is COc1ccc(CCC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide?
The InChIKey is SUMDWYRRKVNRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3/c1-28-20-9-2-15(12-19(20)24)3-10-21(27)25-13-16-4-11-22(26-14-16)29-18-7-5-17(23)6-8-18/h2,4-9,11-12,14H,3,10,13H2,1H3,(H,25,27).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide?
3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide has a molecular weight of 398.41 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 55800518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).