Chemical ID: 4410573

CC(C)Oc1cccc(c1)C(=O)Nc2ccc(cc2F)F
Chemical ID:
4410573
Name [?]:
N-(2,4-difluorophenyl)-3-isopropoxy-benzamide
SMILES [?]:
CC(C)Oc1cccc(c1)C(=O)Nc2ccc(cc2F)F
InChi [?]:
InChI=1/C16H15F2NO2/c1-10(2)21-13-5-3-4-11(8-13)16(20)19-15-7-6-12(17)9-14(15)18/h3-10H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,7,8,6,16,15,10,18,2,9,17,5,19,14,11,21,20,13,12,4/E:(1,2)/rA:21nCCCOCCCCCCCONCCCCCCFF/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15F2NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.94621
Area:475.6
Solvation:-3.94379
Coulombic:-36.9371
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.293
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.11
LogP (Chemaxon):3.23

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