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Chemical ID: 7310469
Chemical ID:
7310469
Name [?]:
N-[(4-fluorophenyl)methyl]-3-nitro-4-(1-piperidyl)benzamide
SMILES [?]:
c1cc(ccc1CNC(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCCCC3)F
InChi [?]:
InChI=1/C19H20FN3O3/c20-16-7-4-14(5-8-16)13-21-19(24)15-6-9-17(18(12-15)23(25)26)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11,13H2,(H,21,24)
InChi Info:
AuxInfo=1/1/N:23,22,24,1,5,12,2,4,13,21,25,16,7,6,11,3,14,15,9,26,8,20,17,10,18,19/E:(2,3)(4,5)(7,8)(10,11)(25,26)/CRV:23.5/rA:26nCCCCCCCNCOCCCCCCN+OO-NCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;d17;s17;s14;s20;s21;s22;s23;s20s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20FN3O3 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.08454 |
Area: | 562.016 |
Solvation: | -9.96587 |
Coulombic: | -42.5589 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 357.379 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.14 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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