Chemical ID: 7038003

CCCCOc1ccc(cc1OC)C(NC(=O)c2ccccc2F)NC(=O)c3ccccc3F
Chemical ID:
7038003
Name [?]:
N-[(4-butoxy-3-methoxy-phenyl)-(2-fluorobenzoyl)amino-methyl]-2-fluoro-benzamide
SMILES [?]:
CCCCOc1ccc(cc1OC)C(NC(=O)c2ccccc2F)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C26H26F2N2O4/c1-3-4-15-34-22-14-13-17(16-23(22)33-2)24(29-25(31)18-9-5-7-11-20(18)27)30-26(32)19-10-6-8-12-21(19)28/h5-14,16,24H,3-4,15H2,1-2H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,13,2,3,20,30,21,31,19,29,22,32,8,7,4,10,9,18,28,23,33,6,11,14,16,26,24,34,15,25,17,27,12,5/E:(5,6)(7,8)(9,10)(11,12)(18,19)(20,21)(25,26)(27,28)(29,30)(31,32)/gE:(1,2)/rA:34nCCCCOCCCCCCOCCNCOCCCCCCFNCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s14;s25;d26;s26;s28;d29;s30;d31;d28s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26F2N2O4
All Atoms:60
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:7.80739
Area:709.558
Solvation:-9.93157
Coulombic:-64.5432
Bond Count [?]
All:36
Single:25
Double:11
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:468.493
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.83
LogP (Chemaxon):4.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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