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Chemical ID: 7413913
Chemical ID:
7413913
Name [?]:
3-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-propanamide
SMILES [?]:
CN1CCN(CC1)c2ccc(cc2)NC(=O)CCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H24ClN3O/c1-23-12-14-24(15-13-23)19-9-7-18(8-10-19)22-20(25)11-4-16-2-5-17(21)6-3-16/h2-3,5-10H,4,11-15H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,20,24,18,21,23,10,12,9,13,17,3,7,4,6,19,22,11,8,15,25,14,2,5,16/E:(2,3)(5,6)(7,8)(9,10)(12,13)(14,15)/rA:25nCNCCNCCCCCCCCNCOCCCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24ClN3O |
All Atoms: | 49 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6297 |
Area: | 591.778 |
Solvation: | -3.16479 |
Coulombic: | -32.4031 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.877 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.45 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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