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

C13H18FN3O3 — CID 81206082

IUPACN-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
SMILESNc1ccc(F)c(NC(=O)CN2CCOC(CO)C2)c1
InChIInChI=1S/C13H18FN3O3/c14-11-2-1-9(15)5-12(11)16-13(19)7-17-3-4-20-10(6-17)8-18/h1-2,5,10,18H,3-4,6-8,15H2,(H,16,19)
InChIKeyWALSIKKPXKRQCY-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.04
Rot. Bonds4

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

N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide (PubChem CID 81206082) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
PubChem CID81206082
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
SMILESNc1ccc(F)c(NC(=O)CN2CCOC(CO)C2)c1
InChIInChI=1S/C13H18FN3O3/c14-11-2-1-9(15)5-12(11)16-13(19)7-17-3-4-20-10(6-17)8-18/h1-2,5,10,18H,3-4,6-8,15H2,(H,16,19)
InChIKeyWALSIKKPXKRQCY-UHFFFAOYSA-N
XLogP0.04
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.04
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-ethylmorpholin-4-yl)acetamide
CID 43562303
N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81195911
N-(2,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833810
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide
CID 114394862
N-(2-amino-4-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propanamide
CID 81195028
4-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]benzamide
CID 79834650
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 114395086
N-(2-amino-6-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81205726
N-(3,5-dichloro-2-pyridinyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81219701
2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 79833534
N-(5-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide
CID 79663165
N-(2,6-dibromo-4-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79835065

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide (CID 81206082) is N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide is Nc1ccc(F)c(NC(=O)CN2CCOC(CO)C2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide?
The InChIKey is WALSIKKPXKRQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c14-11-2-1-9(15)5-12(11)16-13(19)7-17-3-4-20-10(6-17)8-18/h1-2,5,10,18H,3-4,6-8,15H2,(H,16,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide?
N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide has a molecular weight of 283.30 g/mol, XLogP of 0.04, 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)morpholin-4-yl]acetamide is sourced from PubChem (CID 81206082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).