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Chemical ID: 7520233
Chemical ID:
7520233
Name [?]:
4-fluoro-N-(4-isopropoxyphenyl)-benzamide
SMILES [?]:
CC(C)Oc1ccc(cc1)NC(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C16H16FNO2/c1-11(2)20-15-9-7-14(8-10-15)18-16(19)12-3-5-13(17)6-4-12/h3-11H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,15,19,16,18,7,9,6,10,2,14,17,8,5,12,20,11,13,4/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:20nCCCOCCCCCCNCOCCCCCCF/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16FNO2 |
All Atoms: | 36 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.06864 |
Area: | 469.556 |
Solvation: | -3.67025 |
Coulombic: | -33.3832 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.95 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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