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Chemical ID: 3948631

Cc1cccc(c1C)NC(=O)CN2CCC(CC2)C(=O)c3ccc(cc3)F

Chemical ID:

3948631

Name [?]:

N-(2,3-dimethylphenyl)-2-[4-(4-fluorobenzoyl)-1-piperidyl]-acetamide

SMILES [?]:

Cc1cccc(c1C)NC(=O)CN2CCC(CC2)C(=O)c3ccc(cc3)F

InChi [?]:

InChI=1/C22H25FN2O2/c1-15-4-3-5-20(16(15)2)24-21(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:1,8,4,3,5,22,26,23,25,15,17,14,18,12,2,7,21,16,24,6,10,19,27,9,13,11,20/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCCCCCCCCNCOCNCCCCCCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;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:	9.51597
Area:	588.358
Solvation:	-5.19298
Coulombic:	-36.969

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:	3.48
LogP (Chemaxon):	3.24

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

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Chemical Mix	Source	External ID	Descriptor	Value