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Chemical ID: 7207223
Chemical ID:
7207223
Name [?]:
N-(2-fluorophenyl)-2-(4-tert-butylphenoxy)-propanamide
SMILES [?]:
CC(C(=O)Nc1ccccc1F)Oc2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C19H22FNO2/c1-13(18(22)21-17-8-6-5-7-16(17)20)23-15-11-9-14(10-12-15)19(2,3)4/h5-13H,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,21,22,23,9,8,10,7,16,18,15,19,2,17,14,11,6,3,20,12,5,4,13/E:(2,3,4)(9,10)(11,12)/rA:23cCCCONCCCCCCFOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s2;s13;s14;d15;s16;d17;d14s18;s17;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22FNO2 |
All Atoms: | 45 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.27612 |
Area: | 527.042 |
Solvation: | -3.89994 |
Coulombic: | -35.4282 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 315.382 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.18 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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