Chemical ID: 5976118

CN(C)c1ccc(cc1C(=O)N2CCCC2)NC(=O)c3ccc(c(c3)Cl)Cl
Chemical ID:
5976118
Name [?]:
3,4-dichloro-N-(4-dimethylamino-3-pyrrolidin-1-ylcarbonyl-phenyl)-benzamide
SMILES [?]:
CN(C)c1ccc(cc1C(=O)N2CCCC2)NC(=O)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C20H21Cl2N3O2/c1-24(2)18-8-6-14(12-15(18)20(27)25-9-3-4-10-25)23-19(26)13-5-7-16(21)17(22)11-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,3,14,15,21,6,22,5,13,16,25,8,20,7,9,23,24,4,18,10,27,26,17,2,12,19,11/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;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21Cl2N3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.2705
Area:613.84
Solvation:-4.07552
Coulombic:-44.5369
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

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Descriptor Annotations

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