Chemical ID: 7020229

CN(C)c1ccc(cc1)C(NC(=O)c2cccc(c2)Cl)NC(=O)c3cccc(c3)Cl
Chemical ID:
7020229
Name [?]:
3-chloro-N-[(3-chlorobenzoyl)amino-(4-dimethylaminophenyl)-methyl]-benzamide
SMILES [?]:
CN(C)c1ccc(cc1)C(NC(=O)c2cccc(c2)Cl)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C23H21Cl2N3O2/c1-28(2)20-11-9-15(10-12-20)21(26-22(29)16-5-3-7-18(24)13-16)27-23(30)17-6-4-8-19(25)14-17/h3-14,21H,1-2H3,(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,3,16,26,15,25,17,27,6,8,5,9,19,29,7,14,24,18,28,4,10,12,22,20,30,11,21,2,13,23/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)(18,19)(22,23)(24,25)(26,27)(29,30)/gE:(1,2)/rA:30nCNCCCCCCCCNCOCCCCCCClNCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s10;s21;d22;s22;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21Cl2N3O2
All Atoms:51
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.4409
Area:693.061
Solvation:-3.88567
Coulombic:-52.5662
Bond Count [?]
All:32
Single:21
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:442.337
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:6.05
LogP (Chemaxon):5.13

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Descriptor Annotations

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