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Chemical ID: 3948636

Cc1cccc(c1NC(=O)CN2CCC(CC2)C(=O)c3ccc(cc3)F)C

Chemical ID:

3948636

Name [?]:

N-(2,6-dimethylphenyl)-2-[4-(4-fluorobenzoyl)-1-piperidyl]-acetamide

SMILES [?]:

Cc1cccc(c1NC(=O)CN2CCC(CC2)C(=O)c3ccc(cc3)F)C

InChi [?]:

InChI=1/C22H25FN2O2/c1-15-4-3-5-16(2)21(15)24-20(26)14-25-12-10-18(11-13-25)22(27)17-6-8-19(23)9-7-17/h3-9,18H,10-14H2,1-2H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,27,4,3,5,21,25,22,24,14,16,13,17,11,2,6,20,15,23,9,7,18,26,8,12,10,19/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)/rA:27nCCCCCCCNCOCNCCCCCCOCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;d21;s22;d23;d20s24;s23;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₅FN₂O₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	9.27774
Area:	585.07
Solvation:	-5.34902
Coulombic:	-36.7514

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	368.445
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.27
LogP (Chemaxon):	2.59

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value