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Chemical ID: 4198751
Chemical ID:
4198751
Name [?]:
N-(4-bromo-2,6-dimethyl-phenyl)-3-fluoro-benzamide
SMILES [?]:
Cc1cc(cc(c1NC(=O)c2cccc(c2)F)C)Br
InChi [?]:
InChI=1/C15H13BrFNO/c1-9-6-12(16)7-10(2)14(9)18-15(19)11-4-3-5-13(17)8-11/h3-8H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,13,12,14,3,5,16,2,6,11,4,15,7,9,19,17,8,10/E:(1,2)(6,7)(9,10)/rA:19nCCCCCCCNCOCCCCCCFCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s6;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13BrFNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.53571 |
Area: | 448.934 |
Solvation: | -2.68763 |
Coulombic: | -25.8392 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 322.172 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.4 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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