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Chemical ID: 3948658

CC(=O)c1ccc(cc1)NC(=O)CN2CCC(CC2)C(=O)c3ccc(cc3)F

Chemical ID:

3948658

Name [?]:

N-(4-acetylphenyl)-2-[4-(4-fluorobenzoyl)-1-piperidyl]-acetamide

SMILES [?]:

CC(=O)c1ccc(cc1)NC(=O)CN2CCC(CC2)C(=O)c3ccc(cc3)F

InChi [?]:

InChI=1/C22H23FN2O3/c1-15(26)16-4-8-20(9-5-16)24-21(27)14-25-12-10-18(11-13-25)22(28)17-2-6-19(23)7-3-17/h2-9,18H,10-14H2,1H3,(H,24,27)

InChi Info:

AuxInfo=1/1/N:1,23,27,5,9,24,26,6,8,16,18,15,19,13,2,4,22,17,25,7,11,20,28,10,14,3,12,21/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:28nCCOCCCCCCNCOCNCCCCCCOCCCCCCF/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃FN₂O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	8.73868
Area:	609.683
Solvation:	-6.50339
Coulombic:	-43.4472

Bond Count [?]

All:	30
Single:	21
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	382.428
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.66
LogP (Chemaxon):	2.26

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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