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Chemical ID: 6948647
Chemical ID:
6948647
Name [?]:
2-bromo-N-(2-sec-butylphenyl)-benzamide
SMILES [?]:
CCC(C)c1ccccc1NC(=O)c2ccccc2Br
InChi [?]:
InChI=1/C17H18BrNO/c1-3-12(2)13-8-5-7-11-16(13)19-17(20)14-9-4-6-10-15(14)18/h4-12H,3H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,2,16,7,17,8,6,15,18,9,3,5,14,19,10,12,20,11,13/rA:20cCCCCCCCCCCNCOCCCCCCBr/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18BrNO |
All Atoms: | 38 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1962 |
Area: | 482.225 |
Solvation: | -1.85942 |
Coulombic: | -24.2813 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 332.235 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.55 |
LogP (Chemaxon): | 4.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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