Chemical ID: 4017349

Cc1cccc(c1)NC(=O)N2CCN(CC2)c3ccccc3Cl
Chemical ID:
4017349
Name [?]:
4-(2-chlorophenyl)-N-(m-tolyl)piperazine-1-carboxamide
SMILES [?]:
Cc1cccc(c1)NC(=O)N2CCN(CC2)c3ccccc3Cl
InChi [?]:
InChI=1/C18H20ClN3O/c1-14-5-4-6-15(13-14)20-18(23)22-11-9-21(10-12-22)17-8-3-2-7-16(17)19/h2-8,13H,9-12H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,20,19,4,3,5,21,18,13,15,12,16,7,2,6,22,17,9,23,8,14,11,10/E:(9,10)(11,12)/rA:23nCCCCCCCNCONCCNCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20ClN3O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.6961
Area:530.33
Solvation:-2.56215
Coulombic:-38.5421
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:329.824
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.93
LogP (Chemaxon):4.53

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