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Chemical ID: 6721859
Chemical ID:
6721859
Name [?]:
N-[(4-fluorophenyl)methyl]-3-(1-methylindol-3-yl)-propanamide
SMILES [?]:
Cn1cc(c2c1cccc2)CCC(=O)NCc3ccc(cc3)F
InChi [?]:
InChI=1/C19H19FN2O/c1-22-13-15(17-4-2-3-5-18(17)22)8-11-19(23)21-12-14-6-9-16(20)10-7-14/h2-7,9-10,13H,8,11-12H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,7,18,22,11,19,21,12,16,3,17,4,20,5,6,13,23,15,2,14/E:(6,7)(9,10)/rA:23nCNCCCCCCCCCCCONCCCCCCCF/rB:s1;s2;d3;s4;s2s5;d6;s7;d8;d5s9;s4;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19FN2O |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.86443 |
Area: | 533.398 |
Solvation: | -3.47053 |
Coulombic: | -31.3593 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 310.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.65 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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