N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide

C21H18F2N2O3 — CID 87006586

IUPACN-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C21H18F2N2O3/c1-2-27-17-8-3-4-9-18(17)28-19-11-10-14(12-24-19)13-25-21(26)20-15(22)6-5-7-16(20)23/h3-12H,2,13H2,1H3,(H,25,26)
InChIKeyTYSGBZOIESPRTA-UHFFFAOYSA-N
MW384.38 g/mol
LogP4.48
Rot. Bonds7

About N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide

N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide (PubChem CID 87006586) has the molecular formula C21H18F2N2O3 and a molecular weight of 384.38 g/mol. Its IUPAC name is N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide
PubChem CID87006586
Molecular FormulaC21H18F2N2O3
Molecular Weight384.38 g/mol
Exact Mass384.13
IUPAC NameN-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C21H18F2N2O3/c1-2-27-17-8-3-4-9-18(17)28-19-11-10-14(12-24-19)13-25-21(26)20-15(22)6-5-7-16(20)23/h3-12H,2,13H2,1H3,(H,25,26)
InChIKeyTYSGBZOIESPRTA-UHFFFAOYSA-N
XLogP4.48
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 55929980
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 47066017
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea
CID 55821483
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]urea
CID 55929979
1-benzyl-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 110952298
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55805483
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47065602
1-butyl-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111152170
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111901120
2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55800925
[6-(2-ethoxyphenoxy)-3-pyridinyl]methanamine
CID 16793659
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55805473

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide (CID 87006586) is N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide is CCOc1ccccc1Oc1ccc(CNC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide?
The InChIKey is TYSGBZOIESPRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3/c1-2-27-17-8-3-4-9-18(17)28-19-11-10-14(12-24-19)13-25-21(26)20-15(22)6-5-7-16(20)23/h3-12H,2,13H2,1H3,(H,25,26).
What are the key properties of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide?
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide has a molecular weight of 384.38 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide is sourced from PubChem (CID 87006586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).