Chemical ID: 7310469

c1cc(ccc1CNC(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCCCC3)F
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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