(3R)-N-(4-fluorophenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methylamino]butanamide

C15H21FN2O3 — CID 97108242

IUPAC(3R)-N-(4-fluorophenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methylamino]butanamide
SMILESC[C@H](CC(=O)Nc1ccc(F)cc1)NC[C@@]1(O)CCOC1
InChIInChI=1S/C15H21FN2O3/c1-11(17-9-15(20)6-7-21-10-15)8-14(19)18-13-4-2-12(16)3-5-13/h2-5,11,17,20H,6-10H2,1H3,(H,18,19)/t11-,15+/m1/s1
InChIKeyWNKPCQCMIMSDMB-ABAIWWIYSA-N
MW296.34 g/mol
LogP1.28
Rot. Bonds6

About (3R)-N-(4-fluorophenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methylamino]butanamide

(3R)-N-(4-fluorophenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methylamino]butanamide (PubChem CID 97108242) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is (3R)-N-(4-fluorophenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methylamino]butanamide.

Molecular Properties

Compound Name(3R)-N-(4-fluorophenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methylamino]butanamide
PubChem CID97108242
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name(3R)-N-(4-fluorophenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methylamino]butanamide
SMILESC[C@H](CC(=O)Nc1ccc(F)cc1)NC[C@@]1(O)CCOC1
InChIInChI=1S/C15H21FN2O3/c1-11(17-9-15(20)6-7-21-10-15)8-14(19)18-13-4-2-12(16)3-5-13/h2-5,11,17,20H,6-10H2,1H3,(H,18,19)/t11-,15+/m1/s1
InChIKeyWNKPCQCMIMSDMB-ABAIWWIYSA-N
XLogP1.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 5295113
N1-(3-fluorophenyl)-N2-(2-hydroxy-3-methoxy-2-methylpropyl)oxalamide
CID 56724230
(3S)-N-(3-fluorophenyl)-3-hydroxyoxolane-3-carboxamide
CID 129348700
(3S)-1-(2-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrrolidine-3-carboxamide
CID 164642222
3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(3-fluorophenyl)propanamide
CID 5295114
N-(4-fluorophenyl)-3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 5301526
3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(4-fluorophenyl)propanamide
CID 5301527
N-(2-fluorophenyl)-3-(4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 5305222
3-(5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2-fluorophenyl)propanamide
CID 5305223
N-(3-fluorophenyl)-3-[(4S)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanamide
CID 1510108
N-(3-fluorophenyl)-3-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanamide
CID 1510109
3-[(4S,5S)-5-ethyl-4-hydroxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]-N-(3-fluorophenyl)propanamide
CID 1510110

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-fluorophenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methylamino]butanamide?
The IUPAC name of (3R)-N-(4-fluorophenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methylamino]butanamide (CID 97108242) is (3R)-N-(4-fluorophenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methylamino]butanamide.
What is the SMILES notation for (3R)-N-(4-fluorophenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methylamino]butanamide?
The canonical SMILES for (3R)-N-(4-fluorophenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methylamino]butanamide is C[C@H](CC(=O)Nc1ccc(F)cc1)NC[C@@]1(O)CCOC1.
What is the InChIKey of (3R)-N-(4-fluorophenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methylamino]butanamide?
The InChIKey is WNKPCQCMIMSDMB-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-11(17-9-15(20)6-7-21-10-15)8-14(19)18-13-4-2-12(16)3-5-13/h2-5,11,17,20H,6-10H2,1H3,(H,18,19)/t11-,15+/m1/s1.
What are the key properties of (3R)-N-(4-fluorophenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methylamino]butanamide?
(3R)-N-(4-fluorophenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methylamino]butanamide has a molecular weight of 296.34 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-fluorophenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methylamino]butanamide is sourced from PubChem (CID 97108242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).