Chemical ID: 4168505

CC(C1CC1)N(c2ccc(cc2)OC)C(=O)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
4168505
Name [?]:
N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-3-nitro-benzamide
SMILES [?]:
CC(C1CC1)N(c2ccc(cc2)OC)C(=O)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
InChI=1/C19H20N2O4/c1-13(14-6-7-14)20(16-8-10-18(25-2)11-9-16)19(22)15-4-3-5-17(12-15)21(23)24/h3-5,8-14H,6-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,19,18,20,4,5,8,12,9,11,22,2,3,17,7,21,10,15,6,23,16,24,25,13/E:(6,7)(8,9)(10,11)(23,24)/CRV:21.5/rA:25cCCCCCNCCCCCCOCCOCCCCCCN+OO-/rB:s1;s2;s3;s3s4;s2;s6;s7;d8;s9;d10;d7s11;s10;s13;s6;d15;s15;s17;d18;s19;d20;d17s21;s21;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:4.39256
Area:540.041
Solvation:-9.10846
Coulombic:-35.8288
Bond Count [?]
All:27
Single:19
Double:8
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:340.373
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.02
LogP (Chemaxon):3.7

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