Chemical ID: 6942658

CCc1ccc(cc1)NC(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCCC3
Chemical ID:
6942658
Name [?]:
N-(4-ethylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCCC3
InChi [?]:
InChI=1/C19H21N3O3/c1-2-14-5-8-16(9-6-14)20-19(23)15-7-10-17(18(13-15)22(24)25)21-11-3-4-12-21/h5-10,13H,2-4,11-12H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,23,24,4,8,13,5,7,14,22,25,17,3,12,6,15,16,10,9,21,18,11,19,20/E:(3,4)(5,6)(8,9)(11,12)(24,25)/CRV:22.5/rA:25nCCCCCCCCNCOCCCCCCN+OO-NCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;s21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N3O3
All Atoms:46
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.79606
Area:552.045
Solvation:-9.00505
Coulombic:-38.3197
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:339.388
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.38
LogP (Chemaxon):4.51

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Descriptor Annotations

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