N-(3-fluoro-2-methylphenyl)-2-[[(3S,4R)-4-methoxyoxolan-3-yl]amino]acetamide

C14H19FN2O3 — CID 50958827

IUPACN-(3-fluoro-2-methylphenyl)-2-[[(3S,4R)-4-methoxyoxolan-3-yl]amino]acetamide
SMILESCO[C@H]1COC[C@@H]1NCC(=O)Nc1cccc(F)c1C
InChIInChI=1S/C14H19FN2O3/c1-9-10(15)4-3-5-11(9)17-14(18)6-16-12-7-20-8-13(12)19-2/h3-5,12-13,16H,6-8H2,1-2H3,(H,17,18)/t12-,13-/m0/s1
InChIKeyQNYVUCUAJNSIDV-STQMWFEESA-N
MW282.31 g/mol
LogP1.08
Rot. Bonds5

About N-(3-fluoro-2-methylphenyl)-2-[[(3S,4R)-4-methoxyoxolan-3-yl]amino]acetamide

N-(3-fluoro-2-methylphenyl)-2-[[(3S,4R)-4-methoxyoxolan-3-yl]amino]acetamide (PubChem CID 50958827) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-2-[[(3S,4R)-4-methoxyoxolan-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-2-[[(3S,4R)-4-methoxyoxolan-3-yl]amino]acetamide
PubChem CID50958827
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC NameN-(3-fluoro-2-methylphenyl)-2-[[(3S,4R)-4-methoxyoxolan-3-yl]amino]acetamide
SMILESCO[C@H]1COC[C@@H]1NCC(=O)Nc1cccc(F)c1C
InChIInChI=1S/C14H19FN2O3/c1-9-10(15)4-3-5-11(9)17-14(18)6-16-12-7-20-8-13(12)19-2/h3-5,12-13,16H,6-8H2,1-2H3,(H,17,18)/t12-,13-/m0/s1
InChIKeyQNYVUCUAJNSIDV-STQMWFEESA-N
XLogP1.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 551256
4-Morpholineacetamide, N-(2-methylphenyl)-, monohydrochloride
CID 2827840
N'-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883455
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883500
N-(2-methoxyethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 2998176
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
2-(4-fluoro-2-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 29867768
2',6'-Acetoxylidide, 2-((2-methoxyethyl)amino)-
CID 30958
2',6'-Acetoxylidide, 2-(2-ethoxyethylamino)-
CID 49732
2',6'-Acetoxylidide, 2-(2-ethoxyethylamino)-, hydrochloride
CID 59250
Propionanilide, 2'-ethyl-2-(2-methoxybutylamino)-
CID 3025328
Propionanilide, 2'-ethyl-2-(2-methoxyethylamino)-, hydrochloride
CID 3025329

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-2-[[(3S,4R)-4-methoxyoxolan-3-yl]amino]acetamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-2-[[(3S,4R)-4-methoxyoxolan-3-yl]amino]acetamide (CID 50958827) is N-(3-fluoro-2-methylphenyl)-2-[[(3S,4R)-4-methoxyoxolan-3-yl]amino]acetamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-2-[[(3S,4R)-4-methoxyoxolan-3-yl]amino]acetamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-2-[[(3S,4R)-4-methoxyoxolan-3-yl]amino]acetamide is CO[C@H]1COC[C@@H]1NCC(=O)Nc1cccc(F)c1C.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-2-[[(3S,4R)-4-methoxyoxolan-3-yl]amino]acetamide?
The InChIKey is QNYVUCUAJNSIDV-STQMWFEESA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-9-10(15)4-3-5-11(9)17-14(18)6-16-12-7-20-8-13(12)19-2/h3-5,12-13,16H,6-8H2,1-2H3,(H,17,18)/t12-,13-/m0/s1.
What are the key properties of N-(3-fluoro-2-methylphenyl)-2-[[(3S,4R)-4-methoxyoxolan-3-yl]amino]acetamide?
N-(3-fluoro-2-methylphenyl)-2-[[(3S,4R)-4-methoxyoxolan-3-yl]amino]acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-2-[[(3S,4R)-4-methoxyoxolan-3-yl]amino]acetamide is sourced from PubChem (CID 50958827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).