(3S)-3-(3-fluorophenyl)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]propanamide

C20H22FNO3 — CID 97059205

IUPAC(3S)-3-(3-fluorophenyl)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]propanamide
SMILESO=C(C[C@H](O)c1cccc(F)c1)NC[C@@H]1CCO[C@H]1c1ccccc1
InChIInChI=1S/C20H22FNO3/c21-17-8-4-7-15(11-17)18(23)12-19(24)22-13-16-9-10-25-20(16)14-5-2-1-3-6-14/h1-8,11,16,18,20,23H,9-10,12-13H2,(H,22,24)/t16-,18-,20-/m0/s1
InChIKeyKWTKUAVRBCXTBC-QRFRQXIXSA-N
MW343.40 g/mol
LogP3.14
Rot. Bonds6

About (3S)-3-(3-fluorophenyl)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]propanamide

(3S)-3-(3-fluorophenyl)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]propanamide (PubChem CID 97059205) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is (3S)-3-(3-fluorophenyl)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]propanamide.

Molecular Properties

Compound Name(3S)-3-(3-fluorophenyl)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]propanamide
PubChem CID97059205
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name(3S)-3-(3-fluorophenyl)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]propanamide
SMILESO=C(C[C@H](O)c1cccc(F)c1)NC[C@@H]1CCO[C@H]1c1ccccc1
InChIInChI=1S/C20H22FNO3/c21-17-8-4-7-15(11-17)18(23)12-19(24)22-13-16-9-10-25-20(16)14-5-2-1-3-6-14/h1-8,11,16,18,20,23H,9-10,12-13H2,(H,22,24)/t16-,18-,20-/m0/s1
InChIKeyKWTKUAVRBCXTBC-QRFRQXIXSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5-oxo-2-phenyloxolane-3-carboxamide
CID 2947775
2-[(2S,6R,8Z,11R)-11-[(4-fluorophenyl)methyl]-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide
CID 44201573
2-[(2R,6R,8Z,11S)-11-[(4-fluorophenyl)methyl]-5,12-bis(oxidanylidene)-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)ethanamide
CID 44201905
2-[(2S,6R,8Z,11S)-11-[(4-fluorophenyl)methyl]-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide
CID 44201965
N-benzyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide
CID 57328407
4-ethenyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,5-dihydrofuran-3-carboxamide
CID 57328483
4-ethenyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-2,5-dihydrofuran-3-carboxamide
CID 57328485
4-ethenyl-2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-2,5-dihydrofuran-3-carboxamide
CID 57328486
4-ethenyl-2-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]-2,5-dihydrofuran-3-carboxamide
CID 57328487
N-cyclohexyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide
CID 57328557
4-ethenyl-2-(4-fluorophenyl)-N-propyl-2,5-dihydrofuran-3-carboxamide
CID 57328558
4-ethenyl-2-(4-fluorophenyl)-N-pentyl-2,5-dihydrofuran-3-carboxamide
CID 57328559

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-fluorophenyl)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]propanamide?
The IUPAC name of (3S)-3-(3-fluorophenyl)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]propanamide (CID 97059205) is (3S)-3-(3-fluorophenyl)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]propanamide.
What is the SMILES notation for (3S)-3-(3-fluorophenyl)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]propanamide?
The canonical SMILES for (3S)-3-(3-fluorophenyl)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]propanamide is O=C(C[C@H](O)c1cccc(F)c1)NC[C@@H]1CCO[C@H]1c1ccccc1.
What is the InChIKey of (3S)-3-(3-fluorophenyl)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]propanamide?
The InChIKey is KWTKUAVRBCXTBC-QRFRQXIXSA-N. The full InChI is InChI=1S/C20H22FNO3/c21-17-8-4-7-15(11-17)18(23)12-19(24)22-13-16-9-10-25-20(16)14-5-2-1-3-6-14/h1-8,11,16,18,20,23H,9-10,12-13H2,(H,22,24)/t16-,18-,20-/m0/s1.
What are the key properties of (3S)-3-(3-fluorophenyl)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]propanamide?
(3S)-3-(3-fluorophenyl)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]propanamide has a molecular weight of 343.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-fluorophenyl)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]propanamide is sourced from PubChem (CID 97059205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).