N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide

C14H20FN3O3 — CID 81195911

IUPACN-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
SMILESCC1COC(CO)CN1CC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H20FN3O3/c1-9-8-21-11(7-19)5-18(9)6-14(20)17-13-4-10(16)2-3-12(13)15/h2-4,9,11,19H,5-8,16H2,1H3,(H,17,20)
InChIKeyZGBUGMRFORZSKK-UHFFFAOYSA-N
MW297.33 g/mol
LogP0.43
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide

N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide (PubChem CID 81195911) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
PubChem CID81195911
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC NameN-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
SMILESCC1COC(CO)CN1CC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H20FN3O3/c1-9-8-21-11(7-19)5-18(9)6-14(20)17-13-4-10(16)2-3-12(13)15/h2-4,9,11,19H,5-8,16H2,1H3,(H,17,20)
InChIKeyZGBUGMRFORZSKK-UHFFFAOYSA-N
XLogP0.43
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81206082
N-(2,3-dimethylphenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81212627
N-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
CID 81193569
N-(5-amino-2-fluorophenyl)-2-(2-ethylmorpholin-4-yl)acetamide
CID 43562303
N-(3-cyanothiophen-2-yl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81214186
N-(3-aminophenyl)-2-(2,5-dimethylmorpholin-4-yl)acetamide
CID 43544225
N-(5-amino-2-fluorophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide
CID 61238432
2-(2,5-dimethylmorpholin-4-yl)-N-(2-methylphenyl)acetamide
CID 134007228
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(5-amino-2-fluorophenyl)acetamide
CID 82751891
N-(3-amino-4-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)acetamide
CID 43544160
N-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102777811
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one
CID 81204259

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide (CID 81195911) is N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide is CC1COC(CO)CN1CC(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide?
The InChIKey is ZGBUGMRFORZSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-9-8-21-11(7-19)5-18(9)6-14(20)17-13-4-10(16)2-3-12(13)15/h2-4,9,11,19H,5-8,16H2,1H3,(H,17,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide?
N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide has a molecular weight of 297.33 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide is sourced from PubChem (CID 81195911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).