N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide

C15H22FN3O2 — CID 104957908

IUPACN-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESCC(C(=O)Nc1ccc(F)c(N)c1)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H22FN3O2/c1-9-7-19(8-10(2)21-9)11(3)15(20)18-12-4-5-13(16)14(17)6-12/h4-6,9-11H,7-8,17H2,1-3H3,(H,18,20)/t9-,10+,11?
InChIKeyMRCJEEAPYFFMTD-ZACCUICWSA-N
MW295.36 g/mol
LogP1.84
Rot. Bonds3

About N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide

N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide (PubChem CID 104957908) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
PubChem CID104957908
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESCC(C(=O)Nc1ccc(F)c(N)c1)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H22FN3O2/c1-9-7-19(8-10(2)21-9)11(3)15(20)18-12-4-5-13(16)14(17)6-12/h4-6,9-11H,7-8,17H2,1-3H3,(H,18,20)/t9-,10+,11?
InChIKeyMRCJEEAPYFFMTD-ZACCUICWSA-N
XLogP1.84
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 9249085
N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223805
N-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102956094
N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778971
N-(4-acetamidophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47005800
(2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 98938107
(2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 9249033
N-(3-amino-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 16779490
N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81098789
N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 24506608
2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide
CID 47145118
(2S)-N-(2,4-difluorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 9249053

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide (CID 104957908) is N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide is CC(C(=O)Nc1ccc(F)c(N)c1)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
The InChIKey is MRCJEEAPYFFMTD-ZACCUICWSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-9-7-19(8-10(2)21-9)11(3)15(20)18-12-4-5-13(16)14(17)6-12/h4-6,9-11H,7-8,17H2,1-3H3,(H,18,20)/t9-,10+,11?.
What are the key properties of N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide?
N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide has a molecular weight of 295.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide is sourced from PubChem (CID 104957908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).