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Chemical ID: 5976097
Chemical ID:
5976097
Name [?]:
2,4-dichloro-N-(4-dimethylamino-3-pyrrolidin-1-ylcarbonyl-phenyl)-benzamide
SMILES [?]:
CN(C)c1ccc(cc1C(=O)N2CCCC2)NC(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C20H21Cl2N3O2/c1-24(2)18-8-6-14(12-16(18)20(27)25-9-3-4-10-25)23-19(26)15-7-5-13(21)11-17(15)22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,3,14,15,22,6,21,5,13,16,24,8,23,7,20,9,25,4,18,10,27,26,17,2,12,19,11/E:(1,2)(3,4)(9,10)/rA:27nCNCCCCCCCCONCCCCNCOCCCCCCClCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s14;s12s15;s7;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21Cl2N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9628 |
Area: | 608.637 |
Solvation: | -4.25313 |
Coulombic: | -43.9968 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 406.305 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.5 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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