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Chemical ID: 5901117

Chemical ID:

5901117

Name [?]:

2-ethyl-N-[(4-fluorophenyl)carbamoylmethyl]hexanamide

SMILES [?]:

CCCCC(CC)C(=O)NCC(=O)Nc1ccc(cc1)F

InChi [?]:

InChI=1/C16H23FN2O2/c1-3-5-6-12(4-2)16(21)18-11-15(20)19-14-9-7-13(17)8-10-14/h7-10,12H,3-6,11H2,1-2H3,(H,18,21)(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,7,2,6,3,4,17,19,16,20,11,5,18,15,12,8,21,10,14,13,9/E:(7,8)(9,10)/rA:21cCCCCCCCCONCCONCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₃FN₂O₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	9.7656
Area:	526.373
Solvation:	-3.39371
Coulombic:	-46.1476

Bond Count [?]

All:	21
Single:	16
Double:	5
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	294.365
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.43
LogP (Chemaxon):	3.21

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