Chemical ID: 7099728

Cc1ccc(cc1)C(=O)N2CCC(CC2)NC(=O)C(Cc3ccc(c(c3)F)F)NC(=O)C
Chemical ID:
7099728
Name [?]:
2-acetamido-3-(3,4-difluorophenyl)-N-[1-(4-methylbenzoyl)-4-piperidyl]-propanamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N2CCC(CC2)NC(=O)C(Cc3ccc(c(c3)F)F)NC(=O)C
InChi [?]:
InChI=1/C24H27F2N3O3/c1-15-3-6-18(7-4-15)24(32)29-11-9-19(10-12-29)28-23(31)22(27-16(2)30)14-17-5-8-20(25)21(26)13-17/h3-8,13,19,22H,9-12,14H2,1-2H3,(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,32,3,7,22,4,6,23,12,14,11,15,26,20,2,30,21,5,13,24,25,19,17,8,28,27,29,16,10,31,18,9/E:(3,4)(6,7)(9,10)(11,12)/rA:32cCCCCCCCCONCCCCCNCOCCCCCCCCFFNCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s25;s24;s19;s29;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27F2N3O3
All Atoms:59
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:10.0202
Area:662.274
Solvation:-6.53667
Coulombic:-65.5515
Bond Count [?]
All:34
Single:25
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:443.486
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.51
LogP (Chemaxon):2.12

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