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Chemical ID: 6481401
Chemical ID:
6481401
Name [?]:
N-cyclopropyl-2,6-difluoro-N-(1-propyl-4-piperidyl)-benzamide
SMILES [?]:
CCCN1CCC(CC1)N(C2CC2)C(=O)c3c(cccc3F)F
InChi [?]:
InChI=1/C18H24F2N2O/c1-2-10-21-11-8-14(9-12-21)22(13-6-7-13)18(23)17-15(19)4-3-5-16(17)20/h3-5,13-14H,2,6-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,18,20,12,13,6,8,3,5,9,11,7,17,21,16,14,23,22,4,10,15/E:(4,5)(6,7)(8,9)(11,12)(15,16)(19,20)/rA:23nCCCNCCCCCNCCCCOCCCCCCFF/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s7;s10;s11;s11s12;s10;d14;s14;s16;d17;s18;d19;d16s20;s21;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24F2N2O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.66761 |
Area: | 507.988 |
Solvation: | -4.03209 |
Coulombic: | -28.6334 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 322.393 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.61 |
LogP (Chemaxon): | 2.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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