5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide

C18H19FN2O2 — CID 96547592

IUPAC5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide
SMILESCc1ccc(F)cc1C(=O)N(C[C@H]1CCCO1)c1ccncc1
InChIInChI=1S/C18H19FN2O2/c1-13-4-5-14(19)11-17(13)18(22)21(12-16-3-2-10-23-16)15-6-8-20-9-7-15/h4-9,11,16H,2-3,10,12H2,1H3/t16-/m1/s1
InChIKeyLQNFMANFOLBUOZ-MRXNPFEDSA-N
MW314.36 g/mol
LogP3.35
Rot. Bonds4

About 5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide

5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide (PubChem CID 96547592) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide
PubChem CID96547592
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide
SMILESCc1ccc(F)cc1C(=O)N(C[C@H]1CCCO1)c1ccncc1
InChIInChI=1S/C18H19FN2O2/c1-13-4-5-14(19)11-17(13)18(22)21(12-16-3-2-10-23-16)15-6-8-20-9-7-15/h4-9,11,16H,2-3,10,12H2,1H3/t16-/m1/s1
InChIKeyLQNFMANFOLBUOZ-MRXNPFEDSA-N
XLogP3.35
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 96547608
3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide
CID 136525666
5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide
CID 96547612
N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
CID 146105531
5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 55969027
N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylindolizine-2-carboxamide
CID 95777230
N-[[(2S)-oxolan-2-yl]methyl]-N-pyridin-4-ylquinoxaline-2-carboxamide
CID 129370507
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209718
2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430574
1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61432500
5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 120636361

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide (CID 96547592) is 5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide is Cc1ccc(F)cc1C(=O)N(C[C@H]1CCCO1)c1ccncc1.
What is the InChIKey of 5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide?
The InChIKey is LQNFMANFOLBUOZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-13-4-5-14(19)11-17(13)18(22)21(12-16-3-2-10-23-16)15-6-8-20-9-7-15/h4-9,11,16H,2-3,10,12H2,1H3/t16-/m1/s1.
What are the key properties of 5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide?
5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide has a molecular weight of 314.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 96547592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).