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Chemical ID: 7020441
Chemical ID:
7020441
Name [?]:
4-chloro-N-[(4-chlorobenzoyl)amino-(2-fluorophenyl)-methyl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(NC(=O)c2ccc(cc2)Cl)NC(=O)c3ccc(cc3)Cl)F
InChi [?]:
InChI=1/C21H15Cl2FN2O2/c22-15-9-5-13(6-10-15)20(27)25-19(17-3-1-2-4-18(17)24)26-21(28)14-7-11-16(23)12-8-14/h1-12,19H,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,16,22,26,13,15,23,25,11,21,14,24,5,4,7,9,19,17,27,28,8,18,10,20/E:(5,6,7,8)(9,10,11,12)(13,14)(15,16)(20,21)(22,23)(25,26)(27,28)/gE:(1,2)/rA:28nCCCCCCCNCOCCCCCCClNCOCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s7;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15Cl2FN2O2 |
All Atoms: | 43 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6416 |
Area: | 630.868 |
Solvation: | -4.13006 |
Coulombic: | -50.4789 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 417.26 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 6.0 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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