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Chemical ID: 3939522
Chemical ID:
3939522
Name [?]:
N-(2-ethylphenyl)-4-(4-fluorobenzoyl)amino-piperidine-1-carboxamide
SMILES [?]:
CCc1ccccc1NC(=O)N2CCC(CC2)NC(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C21H24FN3O2/c1-2-15-5-3-4-6-19(15)24-21(27)25-13-11-18(12-14-25)23-20(26)16-7-9-17(22)10-8-16/h3-10,18H,2,11-14H2,1H3,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,7,22,26,23,25,14,16,13,17,3,21,24,15,8,19,10,27,18,9,12,20,11/E:(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCCNCONCCCCCNCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24FN3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8714 |
Area: | 586.966 |
Solvation: | -3.80278 |
Coulombic: | -56.7713 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 369.433 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.67 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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