Chemical ID: 4691492

CN1CCN(CC1)c2ccc(cc2)NC(=O)C(c3ccccc3)Cl
Chemical ID:
4691492
Name [?]:
2-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-acetamide
SMILES [?]:
CN1CCN(CC1)c2ccc(cc2)NC(=O)C(c3ccccc3)Cl
InChi [?]:
InChI=1/C19H22ClN3O/c1-22-11-13-23(14-12-22)17-9-7-16(8-10-17)21-19(24)18(20)15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,23,10,12,9,13,3,7,4,6,18,11,8,17,15,24,14,2,5,16/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24cCNCCNCCCCCCCCNCOCCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22ClN3O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.473
Area:553.81
Solvation:-3.37225
Coulombic:-33.7203
Bond Count [?]
All:26
Single:19
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:343.85
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.86
LogP (Chemaxon):4.0

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Descriptor Annotations

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