Chemical ID: 6943741

CC(C)COc1cccc(c1)C(=O)Nc2cccc(c2)F
Chemical ID:
6943741
Name [?]:
N-(3-fluorophenyl)-3-isobutoxy-benzamide
SMILES [?]:
CC(C)COc1cccc(c1)C(=O)Nc2cccc(c2)F
InChi [?]:
InChI=1/C17H18FNO2/c1-12(2)11-21-16-8-3-5-13(9-16)17(20)19-15-7-4-6-14(18)10-15/h3-10,12H,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,8,17,9,18,16,7,11,20,4,2,10,19,15,6,12,21,14,13,5/E:(1,2)/rA:21nCCCCOCCCCCCCONCCCCCCF/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18FNO2
All Atoms:39
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.56971
Area:496.196
Solvation:-3.83519
Coulombic:-33.8399
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:287.329
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.15
LogP (Chemaxon):4.2

Name Annotations

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Descriptor Annotations

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