N-(4-fluorophenyl)-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide

C14H19FN2O3 — CID 106100964

IUPACN-(4-fluorophenyl)-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide
SMILESCC1OCCC1(O)CNCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3/c1-10-14(19,6-7-20-10)9-16-8-13(18)17-12-4-2-11(15)3-5-12/h2-5,10,16,19H,6-9H2,1H3,(H,17,18)
InChIKeyZOVMVBHXHMCWIV-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.89
Rot. Bonds5

About N-(4-fluorophenyl)-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide

N-(4-fluorophenyl)-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide (PubChem CID 106100964) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide
PubChem CID106100964
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC NameN-(4-fluorophenyl)-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide
SMILESCC1OCCC1(O)CNCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3/c1-10-14(19,6-7-20-10)9-16-8-13(18)17-12-4-2-11(15)3-5-12/h2-5,10,16,19H,6-9H2,1H3,(H,17,18)
InChIKeyZOVMVBHXHMCWIV-UHFFFAOYSA-N
XLogP0.89
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301998
N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide
CID 106101003
N-(4-fluorophenyl)-2-[(4-methylcyclohexyl)methylamino]acetamide
CID 63243623
ethyl 3-(4-fluoroanilino)-2-methyloxolane-3-carboxylate
CID 82719419
2-chloro-5-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271388
N-(4-fluorophenyl)-2-(2-hydroxypropylamino)acetamide
CID 43389711
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
N-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide
CID 65120579
2-[(4-ethylmorpholin-2-yl)methylamino]-N-(4-fluorophenyl)acetamide
CID 115626310
2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301485
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 28563124
(2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
CID 120928792

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide (CID 106100964) is N-(4-fluorophenyl)-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide is CC1OCCC1(O)CNCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide?
The InChIKey is ZOVMVBHXHMCWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-10-14(19,6-7-20-10)9-16-8-13(18)17-12-4-2-11(15)3-5-12/h2-5,10,16,19H,6-9H2,1H3,(H,17,18).
What are the key properties of N-(4-fluorophenyl)-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide?
N-(4-fluorophenyl)-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide has a molecular weight of 282.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide is sourced from PubChem (CID 106100964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).