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Chemical ID: 7099728
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
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Experimental Annotations
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Descriptor Annotations
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