Chemical ID: 7207223

CC(C(=O)Nc1ccccc1F)Oc2ccc(cc2)C(C)(C)C
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue