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Chemical ID: 7486726
Chemical ID:
7486726
Name [?]:
N-[4-[(3-chlorobenzoyl)aminocarbamoyl]phenyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)NNC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C21H16ClN3O3/c22-17-8-4-7-16(13-17)21(28)25-24-20(27)15-9-11-18(12-10-15)23-19(26)14-5-2-1-3-6-14/h1-13H,(H,23,26)(H,24,27)(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,3,5,23,25,12,14,11,15,27,4,13,22,26,10,7,16,20,28,9,18,19,8,17,21/E:(2,3)(5,6)(9,10)(11,12)/rA:28nCCCCCCCONCCCCCCCONNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16ClN3O3 |
All Atoms: | 44 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2943 |
Area: | 639.134 |
Solvation: | -3.6841 |
Coulombic: | -61.5048 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 393.823 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.62 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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