Chemical ID: 5892052

c1cc(cc(c1)Cl)C(=O)Nc2ccc(c(c2)C(=O)NCc3cccnc3)N4CCCCC4
Chemical ID:
5892052
Name [?]:
5-(3-chlorobenzoyl)amino-2-(1-piperidyl)-N-(3-pyridylmethyl)benzamide
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)Nc2ccc(c(c2)C(=O)NCc3cccnc3)N4CCCCC4
InChi [?]:
InChI=1/C25H25ClN4O2/c26-20-8-4-7-19(14-20)24(31)29-21-9-10-23(30-12-2-1-3-13-30)22(15-21)25(32)28-17-18-6-5-11-27-16-18/h4-11,14-16H,1-3,12-13,17H2,(H,28,32)(H,29,31)
InChi Info:
AuxInfo=1/1/N:30,29,31,1,23,22,2,6,12,13,24,28,32,4,16,26,20,21,3,5,11,15,14,8,17,7,25,19,10,27,9,18/E:(2,3)(12,13)/rA:32nCCCCCCClCONCCCCCCCONCCCCCNCNCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s14;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H25ClN4O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.8833
Area:698.275
Solvation:-4.57363
Coulombic:-54.0123
Bond Count [?]
All:35
Single:24
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:448.944
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.55
LogP (Chemaxon):3.97

Name Annotations

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

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

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

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

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

Chemical MixSourceExternal IDDescriptorValue