Chemical ID: 6432471

CCOc1cc(ccc1OC)C(NC(=O)c2ccccc2F)NC(=O)c3ccccc3F
Chemical ID:
6432471
Name [?]:
N-[(3-ethoxy-4-methoxy-phenyl)-(2-fluorobenzoyl)amino-methyl]-2-fluoro-benzamide
SMILES [?]:
CCOc1cc(ccc1OC)C(NC(=O)c2ccccc2F)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C24H22F2N2O4/c1-3-32-21-14-15(12-13-20(21)31-2)22(27-23(29)16-8-4-6-10-18(16)25)28-24(30)17-9-5-7-11-19(17)26/h4-14,22H,3H2,1-2H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,11,2,18,28,19,29,17,27,20,30,7,8,5,6,16,26,21,31,9,4,12,14,24,22,32,13,23,15,25,10,3/E:(4,5)(6,7)(8,9)(10,11)(16,17)(18,19)(23,24)(25,26)(27,28)(29,30)/gE:(1,2)/rA:32nCCOCCCCCCOCCNCOCCCCCCFNCOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s12;s23;d24;s24;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H22F2N2O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:6.54696
Area:660.156
Solvation:-9.95694
Coulombic:-63.7453
Bond Count [?]
All:34
Single:23
Double:11
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:440.439
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.9
LogP (Chemaxon):3.94

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Descriptor Annotations

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