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Chemical ID: 7485219
Chemical ID:
7485219
Name [?]:
2-(2-bromobenzoyl)amino-N-cyclohexyl-N-methyl-benzamide
SMILES [?]:
CN(C1CCCCC1)C(=O)c2ccccc2NC(=O)c3ccccc3Br
InChi [?]:
InChI=1/C21H23BrN2O2/c1-24(15-9-3-2-4-10-15)21(26)17-12-6-8-14-19(17)23-20(25)16-11-5-7-13-18(16)22/h5-8,11-15H,2-4,9-10H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,22,13,23,14,4,8,21,12,24,15,3,20,11,25,16,18,9,26,17,2,19,10/E:(3,4)(9,10)/rA:26nCNCCCCCCCOCCCCCCNCOCCCCCCBr/rB:s1;s2;s3;s4;s5;s6;s3s7;s2;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23BrN2O2 |
All Atoms: | 49 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6271 |
Area: | 570.132 |
Solvation: | -2.62622 |
Coulombic: | -41.1339 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 415.324 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.59 |
LogP (Chemaxon): | 5.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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