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

C19H20F2N2O3 — CID 75536640

IUPAC4-fluoro-N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C19H20F2N2O3/c20-14-5-1-12(2-6-14)9-22-16-11-26-17(18(16)24)10-23-19(25)13-3-7-15(21)8-4-13/h1-8,16-18,22,24H,9-11H2,(H,23,25)/t16-,17-,18+/m1/s1
InChIKeyQUMKSSIGNRNDCJ-KURKYZTESA-N
MW362.38 g/mol
LogP1.61
Rot. Bonds6

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

4-fluoro-N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide (PubChem CID 75536640) 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-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
PubChem CID75536640
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name4-fluoro-N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C19H20F2N2O3/c20-14-5-1-12(2-6-14)9-22-16-11-26-17(18(16)24)10-23-19(25)13-3-7-15(21)8-4-13/h1-8,16-18,22,24H,9-11H2,(H,23,25)/t16-,17-,18+/m1/s1
InChIKeyQUMKSSIGNRNDCJ-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
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536621
4-fluoro-N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536649
N-[[4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
CID 162789965
4-[[[(3R,4S,5R)-4-hydroxy-5-[(pyridine-4-carbonylamino)methyl]oxolan-3-yl]amino]methyl]benzoic acid
CID 75536797
N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 162812543
4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]benzamide
CID 75536647
N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 162789942
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536598
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75367085
N-[[3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]benzamide
CID 162944114
N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide
CID 162970604

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide (CID 75536640) is 4-fluoro-N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide is O=C(NC[C@H]1OC[C@@H](NCc2ccc(F)cc2)[C@@H]1O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide?
The InChIKey is QUMKSSIGNRNDCJ-KURKYZTESA-N. The full InChI is InChI=1S/C19H20F2N2O3/c20-14-5-1-12(2-6-14)9-22-16-11-26-17(18(16)24)10-23-19(25)13-3-7-15(21)8-4-13/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-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide?
4-fluoro-N-[[(2R,3S,4R)-4-[(4-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-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 75536640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).