2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide

C18H18F2N2O3 — CID 91771107

IUPAC2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide
SMILESO=C(N[C@@H]1COCC[C@@H]1OCc1ccccn1)c1cc(F)ccc1F
InChIInChI=1S/C18H18F2N2O3/c19-12-4-5-15(20)14(9-12)18(23)22-16-11-24-8-6-17(16)25-10-13-3-1-2-7-21-13/h1-5,7,9,16-17H,6,8,10-11H2,(H,22,23)/t16-,17+/m1/s1
InChIKeyABGSOEKLZSZVTK-SJORKVTESA-N
MW348.35 g/mol
LogP2.46
Rot. Bonds5

About 2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide

2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide (PubChem CID 91771107) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide
PubChem CID91771107
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide
SMILESO=C(N[C@@H]1COCC[C@@H]1OCc1ccccn1)c1cc(F)ccc1F
InChIInChI=1S/C18H18F2N2O3/c19-12-4-5-15(20)14(9-12)18(23)22-16-11-24-8-6-17(16)25-10-13-3-1-2-7-21-13/h1-5,7,9,16-17H,6,8,10-11H2,(H,22,23)/t16-,17+/m1/s1
InChIKeyABGSOEKLZSZVTK-SJORKVTESA-N
XLogP2.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]furan-3-carboxamide
CID 91771001
3-hydroxy-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyridine-4-carboxamide
CID 91767843
1-[(4-fluorophenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea
CID 91764941
3-pyridin-2-yl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
CID 91783906
5-cyclopropyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,3-oxazole-4-carboxamide
CID 91784370
4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide
CID 91763372
2-(4-chlorophenoxy)-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
CID 91784974
5-(methoxymethyl)-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]thiophene-2-carboxamide
CID 91767547
1-phenyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]cyclopropane-1-carboxamide
CID 91768818
2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
CID 164634817
N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 91783413
1-[(4-methylphenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea
CID 91786692

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide?
The IUPAC name of 2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide (CID 91771107) is 2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide is O=C(N[C@@H]1COCC[C@@H]1OCc1ccccn1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide?
The InChIKey is ABGSOEKLZSZVTK-SJORKVTESA-N. The full InChI is InChI=1S/C18H18F2N2O3/c19-12-4-5-15(20)14(9-12)18(23)22-16-11-24-8-6-17(16)25-10-13-3-1-2-7-21-13/h1-5,7,9,16-17H,6,8,10-11H2,(H,22,23)/t16-,17+/m1/s1.
What are the key properties of 2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide?
2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide has a molecular weight of 348.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide is sourced from PubChem (CID 91771107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).