2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide

C17H24FN3O3 — CID 120799542

IUPAC2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)Nc1cc(F)cc(N2CCOCC2)c1)C1CCOCC1
InChIInChI=1S/C17H24FN3O3/c18-13-9-14(11-15(10-13)21-3-7-24-8-4-21)20-17(22)16(19)12-1-5-23-6-2-12/h9-12,16H,1-8,19H2,(H,20,22)
InChIKeyVYGNTYFRGMAOJD-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.35
Rot. Bonds4

About 2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide

2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide (PubChem CID 120799542) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide
PubChem CID120799542
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Name2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)Nc1cc(F)cc(N2CCOCC2)c1)C1CCOCC1
InChIInChI=1S/C17H24FN3O3/c18-13-9-14(11-15(10-13)21-3-7-24-8-4-21)20-17(22)16(19)12-1-5-23-6-2-12/h9-12,16H,1-8,19H2,(H,20,22)
InChIKeyVYGNTYFRGMAOJD-UHFFFAOYSA-N
XLogP1.35
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 122081452
2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(oxan-4-yl)acetamide
CID 140781478
2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
1-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 119871802
2-amino-N-(5-morpholin-4-yl-2-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797645
(2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide
CID 129403478
2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119871793
2-amino-N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120801004
N-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119871807
2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782987
2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798857
N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride
CID 119871805

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide (CID 120799542) is 2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide is NC(C(=O)Nc1cc(F)cc(N2CCOCC2)c1)C1CCOCC1.
What is the InChIKey of 2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide?
The InChIKey is VYGNTYFRGMAOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c18-13-9-14(11-15(10-13)21-3-7-24-8-4-21)20-17(22)16(19)12-1-5-23-6-2-12/h9-12,16H,1-8,19H2,(H,20,22).
What are the key properties of 2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide?
2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide has a molecular weight of 337.40 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120799542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).