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Chemical ID: 6431867
Chemical ID:
6431867
Name [?]:
N-[(4-butoxyphenyl)-(2-fluorobenzoyl)amino-methyl]-2-fluoro-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(NC(=O)c2ccccc2F)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C25H24F2N2O3/c1-2-3-16-32-18-14-12-17(13-15-18)23(28-24(30)19-8-4-6-10-21(19)26)29-25(31)20-9-5-7-11-22(20)27/h4-15,23H,2-3,16H2,1H3,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,2,3,18,28,19,29,17,27,20,30,8,10,7,11,4,9,6,16,26,21,31,12,14,24,22,32,13,23,15,25,5/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(19,20)(21,22)(24,25)(26,27)(28,29)(30,31)/gE:(1,2)/rA:32nCCCCOCCCCCCCNCOCCCCCCFNCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;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: | C25H24F2N2O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4103 |
Area: | 686.395 |
Solvation: | -7.74958 |
Coulombic: | -58.4985 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 438.467 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.18 |
LogP (Chemaxon): | 5.06 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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