3-(fluoroamino)-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]propanamide

C14H20FN3O2 — CID 145006151

IUPAC3-(fluoroamino)-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]propanamide
SMILESC[C@@H]1CNC[C@H](c2ccc(NC(=O)CCNF)cc2)O1
InChIInChI=1S/C14H20FN3O2/c1-10-8-16-9-13(20-10)11-2-4-12(5-3-11)18-14(19)6-7-17-15/h2-5,10,13,16-17H,6-9H2,1H3,(H,18,19)/t10-,13-/m1/s1
InChIKeyIIRJRGLRYTYDOK-ZWNOBZJWSA-N
MW281.33 g/mol
LogP1.54
Rot. Bonds5

About 3-(fluoroamino)-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]propanamide

3-(fluoroamino)-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]propanamide (PubChem CID 145006151) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-(fluoroamino)-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-(fluoroamino)-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]propanamide
PubChem CID145006151
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name3-(fluoroamino)-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]propanamide
SMILESC[C@@H]1CNC[C@H](c2ccc(NC(=O)CCNF)cc2)O1
InChIInChI=1S/C14H20FN3O2/c1-10-8-16-9-13(20-10)11-2-4-12(5-3-11)18-14(19)6-7-17-15/h2-5,10,13,16-17H,6-9H2,1H3,(H,18,19)/t10-,13-/m1/s1
InChIKeyIIRJRGLRYTYDOK-ZWNOBZJWSA-N
XLogP1.54
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide
CID 129145042
6-chloro-N-[4-(6-methylmorpholin-2-yl)phenyl]pyridine-3-carboxamide
CID 76758483
3-chloro-N-[4-[(2S,6S)-6-methylmorpholin-2-yl]phenyl]benzamide;hydrochloride
CID 67239771
N-(6-chloro-3-pyridinyl)-4-[(2S,6R)-6-methylmorpholin-2-yl]benzamide
CID 145006175
N-(4-bromophenyl)-2-[(6-methylmorpholin-2-yl)methoxy]acetamide
CID 102633567
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)propanamide
CID 771352
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)acetamide
CID 703778
3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 109037659
N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109041238
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
(2S,6S)-2-(3-chlorophenyl)-6-methylmorpholine
CID 39243005

Frequently Asked Questions

What is the IUPAC name of 3-(fluoroamino)-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]propanamide?
The IUPAC name of 3-(fluoroamino)-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]propanamide (CID 145006151) is 3-(fluoroamino)-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]propanamide.
What is the SMILES notation for 3-(fluoroamino)-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]propanamide?
The canonical SMILES for 3-(fluoroamino)-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]propanamide is C[C@@H]1CNC[C@H](c2ccc(NC(=O)CCNF)cc2)O1.
What is the InChIKey of 3-(fluoroamino)-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]propanamide?
The InChIKey is IIRJRGLRYTYDOK-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-10-8-16-9-13(20-10)11-2-4-12(5-3-11)18-14(19)6-7-17-15/h2-5,10,13,16-17H,6-9H2,1H3,(H,18,19)/t10-,13-/m1/s1.
What are the key properties of 3-(fluoroamino)-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]propanamide?
3-(fluoroamino)-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]propanamide has a molecular weight of 281.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoroamino)-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]propanamide is sourced from PubChem (CID 145006151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).