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Chemical ID: 4268605
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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