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Chemical ID: 7271532
Chemical ID:
7271532
Name [?]:
N-(5-fluoro-2-methyl-phenyl)-3,5-dimethyl-benzamide
SMILES [?]:
Cc1ccc(cc1NC(=O)c2cc(cc(c2)C)C)F
InChi [?]:
InChI=1/C16H16FNO/c1-10-6-11(2)8-13(7-10)16(19)18-15-9-14(17)5-4-12(15)3/h4-9H,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:17,18,1,3,4,14,16,12,6,15,13,2,11,5,7,9,19,8,10/E:(1,2)(7,8)(10,11)/rA:19nCCCCCCCNCOCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s13;s5;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16FNO |
All Atoms: | 35 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.76748 |
Area: | 447.175 |
Solvation: | -2.4119 |
Coulombic: | -26.4782 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 257.303 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.25 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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