4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide

C20H23FN2O3 — CID 75367091

IUPAC4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide
SMILESCc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3ccc(F)cc3)[C@H]2O)cc1
InChIInChI=1S/C20H23FN2O3/c1-13-2-4-14(5-3-13)10-22-17-12-26-18(19(17)24)11-23-20(25)15-6-8-16(21)9-7-15/h2-9,17-19,22,24H,10-12H2,1H3,(H,23,25)/t17-,18-,19+/m1/s1
InChIKeyNVHGPTTWJIQGKK-QRVBRYPASA-N
MW358.41 g/mol
LogP1.78
Rot. Bonds6

About 4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide

4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide (PubChem CID 75367091) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide
PubChem CID75367091
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide
SMILESCc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3ccc(F)cc3)[C@H]2O)cc1
InChIInChI=1S/C20H23FN2O3/c1-13-2-4-14(5-3-13)10-22-17-12-26-18(19(17)24)11-23-20(25)15-6-8-16(21)9-7-15/h2-9,17-19,22,24H,10-12H2,1H3,(H,23,25)/t17-,18-,19+/m1/s1
InChIKeyNVHGPTTWJIQGKK-QRVBRYPASA-N
XLogP1.78
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide (CID 75367091) is 4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide is Cc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3ccc(F)cc3)[C@H]2O)cc1.
What is the InChIKey of 4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide?
The InChIKey is NVHGPTTWJIQGKK-QRVBRYPASA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-13-2-4-14(5-3-13)10-22-17-12-26-18(19(17)24)11-23-20(25)15-6-8-16(21)9-7-15/h2-9,17-19,22,24H,10-12H2,1H3,(H,23,25)/t17-,18-,19+/m1/s1.
What are the key properties of 4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide?
4-fluoro-N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide has a molecular weight of 358.41 g/mol, XLogP of 1.78, 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)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 75367091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).