2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide

C18H19FN2O3 — CID 99582902

IUPAC2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1c(O)cccc1F)N(Cc1cccnc1)C[C@H]1CCCO1
InChIInChI=1S/C18H19FN2O3/c19-15-6-1-7-16(22)17(15)18(23)21(12-14-5-3-9-24-14)11-13-4-2-8-20-10-13/h1-2,4,6-8,10,14,22H,3,5,9,11-12H2/t14-/m1/s1
InChIKeyMEXVLPGTPKNHMK-CQSZACIVSA-N
MW330.36 g/mol
LogP2.75
Rot. Bonds5

About 2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide

2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 99582902) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID99582902
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1c(O)cccc1F)N(Cc1cccnc1)C[C@H]1CCCO1
InChIInChI=1S/C18H19FN2O3/c19-15-6-1-7-16(22)17(15)18(23)21(12-14-5-3-9-24-14)11-13-4-2-8-20-10-13/h1-2,4,6-8,10,14,22H,3,5,9,11-12H2/t14-/m1/s1
InChIKeyMEXVLPGTPKNHMK-CQSZACIVSA-N
XLogP2.75
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 47065691
3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 51121582
3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 55900018
4-fluoro-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55900156
(2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 94628652
3-fluoro-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 71873267
3-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 97012534
5-(methoxymethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 87028392
N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 55899400
N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51966521
2-oxo-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
CID 71890174
N-(oxolan-2-ylmethyl)-3-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 75904558

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide (CID 99582902) is 2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide is O=C(c1c(O)cccc1F)N(Cc1cccnc1)C[C@H]1CCCO1.
What is the InChIKey of 2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is MEXVLPGTPKNHMK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-15-6-1-7-16(22)17(15)18(23)21(12-14-5-3-9-24-14)11-13-4-2-8-20-10-13/h1-2,4,6-8,10,14,22H,3,5,9,11-12H2/t14-/m1/s1.
What are the key properties of 2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide?
2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 330.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 99582902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).