4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide

C19H20F2N2O3 — CID 75536649

IUPAC4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccccc2F)[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C19H20F2N2O3/c20-14-7-5-12(6-8-14)19(25)23-10-17-18(24)16(11-26-17)22-9-13-3-1-2-4-15(13)21/h1-8,16-18,22,24H,9-11H2,(H,23,25)/t16-,17-,18+/m1/s1
InChIKeyLWHRSXTTZJSQQJ-KURKYZTESA-N
MW362.38 g/mol
LogP1.61
Rot. Bonds6

About 4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide

4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide (PubChem CID 75536649) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is 4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
PubChem CID75536649
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccccc2F)[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C19H20F2N2O3/c20-14-7-5-12(6-8-14)19(25)23-10-17-18(24)16(11-26-17)22-9-13-3-1-2-4-15(13)21/h1-8,16-18,22,24H,9-11H2,(H,23,25)/t16-,17-,18+/m1/s1
InChIKeyLWHRSXTTZJSQQJ-KURKYZTESA-N
XLogP1.61
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
CID 75536639
4-fluoro-N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536640
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536621
N-[[4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
CID 162789837
4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]benzamide
CID 75536647
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75367085
N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
CID 162789965
1-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]-3-phenylurea
CID 75536774
4-[[[(3R,4S,5R)-4-hydroxy-5-[(pyridine-4-carbonylamino)methyl]oxolan-3-yl]amino]methyl]benzoic acid
CID 75536797
N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide
CID 75536616
N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 162812543
N-[[4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 162789752

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide (CID 75536649) is 4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide is O=C(NC[C@H]1OC[C@@H](NCc2ccccc2F)[C@@H]1O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide?
The InChIKey is LWHRSXTTZJSQQJ-KURKYZTESA-N. The full InChI is InChI=1S/C19H20F2N2O3/c20-14-7-5-12(6-8-14)19(25)23-10-17-18(24)16(11-26-17)22-9-13-3-1-2-4-15(13)21/h1-8,16-18,22,24H,9-11H2,(H,23,25)/t16-,17-,18+/m1/s1.
What are the key properties of 4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide?
4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide has a molecular weight of 362.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 75536649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).