Chemical ID: 5892099

c1ccc(c(c1)C(=O)Nc2ccc(c(c2)C(=O)NCC3CCCO3)N4CCCCC4)Cl
Chemical ID:
5892099
Name [?]:
5-(2-chlorobenzoyl)amino-2-(1-piperidyl)-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(c(c2)C(=O)NCC3CCCO3)N4CCCCC4)Cl
InChi [?]:
InChI=1/C24H28ClN3O3/c25-21-9-3-2-8-19(21)24(30)27-17-10-11-22(28-12-4-1-5-13-28)20(15-17)23(29)26-16-18-7-6-14-31-18/h2-3,8-11,15,18H,1,4-7,12-14,16H2,(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:28,1,2,27,29,22,21,6,3,11,12,26,30,23,15,19,10,20,5,14,4,13,16,7,31,18,9,25,17,8,24/E:(4,5)(12,13)/rA:31cCCCCCCCONCCCCCCCONCCCCCONCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;d16;s16;s18;s19;s20;s21;s22;s20s23;s13;s25;s26;s27;s28;s25s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28ClN3O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.5217
Area:674.09
Solvation:-5.33053
Coulombic:-56.7879
Bond Count [?]
All:34
Single:26
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:441.95
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.45
LogP (Chemaxon):3.74

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Descriptor Annotations

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