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Chemical ID: 5790913
Chemical ID:
5790913
Name [?]:
4-(2-bromobenzoyl)amino-N-(2-naphthyl)benzamide
SMILES [?]:
c1ccc2cc(ccc2c1)NC(=O)c3ccc(cc3)NC(=O)c4ccccc4Br
InChi [?]:
InChI=1/C24H17BrN2O2/c25-22-8-4-3-7-21(22)24(29)26-19-12-10-17(11-13-19)23(28)27-20-14-9-16-5-1-2-6-18(16)15-20/h1-15H,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,25,26,10,3,24,27,8,15,19,16,18,7,5,9,14,4,17,6,23,28,12,21,29,20,11,13,22/E:(10,11)(12,13)/rA:29nCCCCCCCCCCNCOCCCCCCNCOCCCCCCBr/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H17BrN2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0552 |
Area: | 614.92 |
Solvation: | -3.31778 |
Coulombic: | -45.3757 |
Bond Count [?]
All: | 32 |
Single: | 19 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 445.308 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 6.03 |
LogP (Chemaxon): | 5.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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