Chemical ID: 7413913

CN1CCN(CC1)c2ccc(cc2)NC(=O)CCc3ccc(cc3)Cl
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

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