Chemical ID: 5891782

CCC(C)NC(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3ccccc3Cl
Chemical ID:
5891782
Name [?]:
5-(2-chlorobenzoyl)amino-2-(1-piperidyl)-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)NC(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C23H28ClN3O2/c1-3-16(2)25-23(29)19-15-17(11-12-21(19)27-13-7-4-8-14-27)26-22(28)18-9-5-6-10-20(18)24/h5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3,(H,25,29)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,4,2,17,25,26,16,18,24,27,11,12,15,19,9,3,10,23,8,28,13,21,6,29,5,20,14,22,7/E:(7,8)(13,14)/rA:29cCCCCNCOCCCCCCNCCCCCNCOCCCCCCCl/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s17;s14s18;s10;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28ClN3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.1557
Area:643.589
Solvation:-3.93405
Coulombic:-49.5656
Bond Count [?]
All:31
Single:23
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:413.94
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.33
LogP (Chemaxon):4.73

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Descriptor Annotations

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