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Chemical ID: 5822123
Chemical ID:
5822123
Name [?]:
4-fluoro-N-(4-isopropylphenyl)-benzamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C16H16FNO/c1-11(2)12-5-9-15(10-6-12)18-16(19)13-3-7-14(17)8-4-13/h3-11H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,14,18,5,9,15,17,6,8,2,4,13,16,7,11,19,10,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:19nCCCCCCCCCNCOCCCCCCF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16FNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.60361 |
Area: | 450.127 |
Solvation: | -2.64956 |
Coulombic: | -26.9979 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 257.303 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.56 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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