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Chemical ID: 4527137
Chemical ID:
4527137
Name [?]:
N-(4-bromo-2-methyl-phenyl)-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2ccc(cc2C)Br
InChi [?]:
InChI=1/C15H14BrNO/c1-10-5-3-4-6-13(10)15(18)17-14-8-7-12(16)9-11(14)2/h3-9H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,4,5,3,6,13,12,15,2,16,14,7,11,8,18,10,9/rA:18nCCCCCCCCONCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14BrNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.50931 |
Area: | 439.395 |
Solvation: | -1.47555 |
Coulombic: | -23.6999 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 304.182 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.45 |
LogP (Chemaxon): | 4.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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