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Chemical ID: 3948628

CCc1ccc(cc1)NC(=O)CN2CCC(CC2)C(=O)c3ccc(cc3)F

Chemical ID:

3948628

Name [?]:

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

SMILES [?]:

CCc1ccc(cc1)NC(=O)CN2CCC(CC2)C(=O)c3ccc(cc3)F

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,2,4,8,22,26,23,25,5,7,15,17,14,18,12,3,21,16,24,6,10,19,27,9,13,11,20/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCCNCOCNCCCCCCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	9.74174
Area:	598.34
Solvation:	-5.21675
Coulombic:	-37.3383

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	368.445
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.72
LogP (Chemaxon):	3.82

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