Chemical ID: 4268605

c1cc(cc(c1)Cl)NC(=O)c2ccc(cc2)C(=O)Nc3cccc(c3)Cl
Chemical ID:
4268605
Name [?]:
N,N'-bis(3-chlorophenyl)terephthalamide
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)c2ccc(cc2)C(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C20H14Cl2N2O2/c21-15-3-1-5-17(11-15)23-19(25)13-7-9-14(10-8-13)20(26)24-18-6-2-4-16(22)12-18/h1-12H,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,22,6,23,2,21,12,16,13,15,4,25,11,14,5,24,3,20,9,17,7,26,8,19,10,18/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)/gE:(1,2)/rA:26nCCCCCCClNCOCCCCCCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14Cl2N2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.2575
Area:607.914
Solvation:-2.94031
Coulombic:-45.4787
Bond Count [?]
All:28
Single:17
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:385.243
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.21
LogP (Chemaxon):5.19

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Descriptor Annotations

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