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Chemical ID: 4183359
Chemical ID:
4183359
Name [?]:
N-(2-bromo-4-methyl-phenyl)-2-methoxy-benzamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2ccccc2OC
InChi [?]:
InChI=1/C15H14BrNO2/c1-10-7-8-13(12(16)9-10)17-15(18)11-5-3-4-6-14(11)19-2/h3-9H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,14,15,13,16,3,4,7,2,12,6,5,17,10,8,9,11,18/rA:19nCCCCCCCBrNCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14BrNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.9306 |
Area: | 455.552 |
Solvation: | -3.45819 |
Coulombic: | -29.4009 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 320.181 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.14 |
LogP (Chemaxon): | 3.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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