3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide

C20H22ClFN2O2 — CID 91629768

IUPAC3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide
SMILESO=C(CCc1c(F)cccc1Cl)NC(c1cccnc1)C1CCOCC1
InChIInChI=1S/C20H22ClFN2O2/c21-17-4-1-5-18(22)16(17)6-7-19(25)24-20(14-8-11-26-12-9-14)15-3-2-10-23-13-15/h1-5,10,13-14,20H,6-9,11-12H2,(H,24,25)
InChIKeyWMOQYKZSLTUKTC-UHFFFAOYSA-N
MW376.86 g/mol
LogP4.09
Rot. Bonds6

About 3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide

3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide (PubChem CID 91629768) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide
PubChem CID91629768
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide
SMILESO=C(CCc1c(F)cccc1Cl)NC(c1cccnc1)C1CCOCC1
InChIInChI=1S/C20H22ClFN2O2/c21-17-4-1-5-18(22)16(17)6-7-19(25)24-20(14-8-11-26-12-9-14)15-3-2-10-23-13-15/h1-5,10,13-14,20H,6-9,11-12H2,(H,24,25)
InChIKeyWMOQYKZSLTUKTC-UHFFFAOYSA-N
XLogP4.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(4-fluorophenoxy)phenyl]-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]propanamide
CID 124761427
N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 100701151
2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide
CID 100699932
2-benzylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide
CID 91629752
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 100699381
3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629820
2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629797
(E)-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-3-phenylprop-2-enamide
CID 100699545
1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 91629784
1-(1-adamantyl)-3-[oxan-4-yl(pyridin-3-yl)methyl]urea
CID 91629831
N-[oxan-4-yl(pyridin-3-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 91629823
3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine
CID 63016457

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide (CID 91629768) is 3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide is O=C(CCc1c(F)cccc1Cl)NC(c1cccnc1)C1CCOCC1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide?
The InChIKey is WMOQYKZSLTUKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c21-17-4-1-5-18(22)16(17)6-7-19(25)24-20(14-8-11-26-12-9-14)15-3-2-10-23-13-15/h1-5,10,13-14,20H,6-9,11-12H2,(H,24,25).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide?
3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide has a molecular weight of 376.86 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide is sourced from PubChem (CID 91629768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).