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Chemical ID: 5860750
Chemical ID:
5860750
Name [?]:
2-fluoro-N-[2-methyl-1-(1-naphthylmethyleneaminocarbamoyl)propyl]-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1cccc2c1cccc2)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C23H22FN3O2/c1-15(2)21(26-22(28)19-12-5-6-13-20(19)24)23(29)27-25-14-17-10-7-9-16-8-3-4-11-18(16)17/h3-15,21H,1-2H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,25,26,12,19,13,11,16,24,27,9,2,14,10,15,23,28,4,21,5,29,8,20,7,22,6/E:(1,2)/rA:29cCCCCCONNCCCCCCCCCCCNCOCCCCCCF/rB:s1;s2;s2;s4;d5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s15;d16;s17;s14d18;s4;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22FN3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3697 |
Area: | 613.006 |
Solvation: | -4.95543 |
Coulombic: | -46.892 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 391.438 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.77 |
LogP (Chemaxon): | 4.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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