N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide

C22H21FN2O3 — CID 55888466

IUPACN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)c3cc(F)ccc3C)ccn2)cc1
InChIInChI=1S/C22H21FN2O3/c1-3-27-18-6-8-19(9-7-18)28-21-12-16(10-11-24-21)14-25-22(26)20-13-17(23)5-4-15(20)2/h4-13H,3,14H2,1-2H3,(H,25,26)
InChIKeyBGQXFLQHJBSBAN-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.65
Rot. Bonds7

About N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide

N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide (PubChem CID 55888466) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide
PubChem CID55888466
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC NameN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)c3cc(F)ccc3C)ccn2)cc1
InChIInChI=1S/C22H21FN2O3/c1-3-27-18-6-8-19(9-7-18)28-21-12-16(10-11-24-21)14-25-22(26)20-13-17(23)5-4-15(20)2/h4-13H,3,14H2,1-2H3,(H,25,26)
InChIKeyBGQXFLQHJBSBAN-UHFFFAOYSA-N
XLogP4.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide
CID 55888077
2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 55886671
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47063430
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 55887692
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703944
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-naphthalen-1-ylacetamide
CID 55888076
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47063435
N-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide
CID 51104118
4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide
CID 119847529
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 55888074
(2S)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide
CID 95155906
(2R)-2-ethoxy-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]butanamide
CID 95155907

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide (CID 55888466) is N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide is CCOc1ccc(Oc2cc(CNC(=O)c3cc(F)ccc3C)ccn2)cc1.
What is the InChIKey of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide?
The InChIKey is BGQXFLQHJBSBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-3-27-18-6-8-19(9-7-18)28-21-12-16(10-11-24-21)14-25-22(26)20-13-17(23)5-4-15(20)2/h4-13H,3,14H2,1-2H3,(H,25,26).
What are the key properties of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide?
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide has a molecular weight of 380.42 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 55888466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).