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Chemical ID: 4691492
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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