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Chemical ID: 6398432
Chemical ID:
6398432
Name [?]:
N-(2-bromo-4-methyl-phenyl)benzamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2ccccc2
InChi [?]:
InChI=1/C14H12BrNO/c1-10-7-8-13(12(15)9-10)16-14(17)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,17,3,4,7,2,12,6,5,10,8,9,11/E:(3,4)(5,6)/rA:17nCCCCCCCBrNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12BrNO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.20224 |
Area: | 424.923 |
Solvation: | -1.42082 |
Coulombic: | -24.1507 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 290.155 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.23 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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