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Chemical ID: 4958018
Chemical ID:
4958018
Name [?]:
3-(3-bromobenzoyl)amino-4-chloro-N-phenyl-benzamide
SMILES [?]:
c1ccc(cc1)NC(=O)c2ccc(c(c2)NC(=O)c3cccc(c3)Br)Cl
InChi [?]:
InChI=1/C20H14BrClN2O2/c21-15-6-4-5-13(11-15)20(26)24-18-12-14(9-10-17(18)22)19(25)23-16-7-2-1-3-8-16/h1-12H,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,20,22,3,5,11,12,24,15,19,10,23,4,13,14,8,17,25,26,7,16,9,18/E:(2,3)(7,8)/rA:26nCCCCCCNCOCCCCCCNCOCCCCCCBrCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14BrClN2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8658 |
Area: | 591.823 |
Solvation: | -2.92976 |
Coulombic: | -45.3082 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 429.694 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.38 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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