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

C12H15FN2O3 — CID 77059071

IUPACN-[[(2R,3S,4R)-4-amino-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
SMILESN[C@@H]1CO[C@H](CNC(=O)c2ccc(F)cc2)[C@H]1O
InChIInChI=1S/C12H15FN2O3/c13-8-3-1-7(2-4-8)12(17)15-5-10-11(16)9(14)6-18-10/h1-4,9-11,16H,5-6,14H2,(H,15,17)/t9-,10-,11+/m1/s1
InChIKeyFDPRGBDPIJLPIW-MXWKQRLJSA-N
MW254.26 g/mol
LogP-0.36
Rot. Bonds3

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

N-[[(2R,3S,4R)-4-amino-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide (PubChem CID 77059071) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-amino-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-amino-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
PubChem CID77059071
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC NameN-[[(2R,3S,4R)-4-amino-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
SMILESN[C@@H]1CO[C@H](CNC(=O)c2ccc(F)cc2)[C@H]1O
InChIInChI=1S/C12H15FN2O3/c13-8-3-1-7(2-4-8)12(17)15-5-10-11(16)9(14)6-18-10/h1-4,9-11,16H,5-6,14H2,(H,15,17)/t9-,10-,11+/m1/s1
InChIKeyFDPRGBDPIJLPIW-MXWKQRLJSA-N
XLogP-0.36
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, N-tetrahydrofurfuryl-3-fluoro-
CID 532005
N-(phenylcarbonyl)-beta-D-glucopyranosylamine
CID 11243053
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
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
3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]benzamide
CID 53382664
N-[[(2R,3S,4R)-4-[bis[(3-cyanophenyl)methyl]amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536488

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-amino-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[(2R,3S,4R)-4-amino-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide (CID 77059071) is N-[[(2R,3S,4R)-4-amino-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-amino-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-amino-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide is N[C@@H]1CO[C@H](CNC(=O)c2ccc(F)cc2)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-amino-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide?
The InChIKey is FDPRGBDPIJLPIW-MXWKQRLJSA-N. The full InChI is InChI=1S/C12H15FN2O3/c13-8-3-1-7(2-4-8)12(17)15-5-10-11(16)9(14)6-18-10/h1-4,9-11,16H,5-6,14H2,(H,15,17)/t9-,10-,11+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-amino-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide?
N-[[(2R,3S,4R)-4-amino-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide has a molecular weight of 254.26 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-amino-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 77059071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).