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Chemical ID: 4231985

Chemical ID:

4231985

Name [?]:

3-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)-propanamide

SMILES [?]:

CC1CN(CC(O1)C)CCC(=O)Nc2ccc(cc2)F

InChi [?]:

InChI=1/C15H21FN2O2/c1-11-9-18(10-12(2)20-11)8-7-15(19)17-14-5-3-13(16)4-6-14/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)

InChi Info:

AuxInfo=1/1/N:1,8,16,18,15,19,10,9,3,5,2,6,17,14,11,20,13,4,12,7/E:(1,2)(3,4)(5,6)(9,10)(11,12)/rA:20cCCCNCCOCCCCONCCCCCCF/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₁FN₂O₂
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	2

ZAP Information [?]

Total:	7.69499
Area:	481.557
Solvation:	-4.34394
Coulombic:	-36.3253

Bond Count [?]

All:	21
Single:	17
Double:	4
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	280.338
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.64
LogP (Chemaxon):	2.04

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value