N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide

C14H19FN2O3 — CID 75536633

IUPACN-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
SMILESCN(C)[C@@H]1CO[C@H](CNC(=O)c2ccc(F)cc2)[C@H]1O
InChIInChI=1S/C14H19FN2O3/c1-17(2)11-8-20-12(13(11)18)7-16-14(19)9-3-5-10(15)6-4-9/h3-6,11-13,18H,7-8H2,1-2H3,(H,16,19)/t11-,12-,13+/m1/s1
InChIKeyUVUFURKFQWFYTH-UPJWGTAASA-N
MW282.31 g/mol
LogP0.25
Rot. Bonds4

About N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide

N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide (PubChem CID 75536633) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
PubChem CID75536633
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC NameN-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
SMILESCN(C)[C@@H]1CO[C@H](CNC(=O)c2ccc(F)cc2)[C@H]1O
InChIInChI=1S/C14H19FN2O3/c1-17(2)11-8-20-12(13(11)18)7-16-14(19)9-3-5-10(15)6-4-9/h3-6,11-13,18H,7-8H2,1-2H3,(H,16,19)/t11-,12-,13+/m1/s1
InChIKeyUVUFURKFQWFYTH-UPJWGTAASA-N
XLogP0.25
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, N-tetrahydrofurfuryl-3-fluoro-
CID 532005
Benzamide, N-tetrahydrofurfuryl-3-methyl-
CID 531960
4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
CID 4883577
N-(alpha-L-Fucopyranosyl)benzamide
CID 165416412
N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide
CID 168282777
4-(trifluoromethyl)-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide
CID 168297118
4-methyl-N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]benzamide
CID 168297565
N-(oxolan-2-ylmethyl)benzamide
CID 2842558
N-[[(3S,4R,5R)-5-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-3-yl]methyl]benzamide
CID 118652074
N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-iodobenzamide
CID 118652154
Benzamide, N-tetrahydrofurfuryl-4-fluoro-
CID 531952
Benzamide, N-tetrahydrofurfuryl-4-methyl-
CID 531825

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide (CID 75536633) is N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide is CN(C)[C@@H]1CO[C@H](CNC(=O)c2ccc(F)cc2)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide?
The InChIKey is UVUFURKFQWFYTH-UPJWGTAASA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-17(2)11-8-20-12(13(11)18)7-16-14(19)9-3-5-10(15)6-4-9/h3-6,11-13,18H,7-8H2,1-2H3,(H,16,19)/t11-,12-,13+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide?
N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide has a molecular weight of 282.31 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 75536633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).