Chemical ID: 6656385

Cc1ccccc1NC(=O)CCC(=O)Nc2ccccc2
Chemical ID:
6656385
Name [?]:
N-(o-tolyl)-N'-phenyl-butanediamide
SMILES [?]:
Cc1ccccc1NC(=O)CCC(=O)Nc2ccccc2
InChi [?]:
InChI=1/C17H18N2O2/c1-13-7-5-6-10-15(13)19-17(21)12-11-16(20)18-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,4,5,3,17,21,6,12,11,2,16,7,13,9,15,8,14,10/E:(3,4)(8,9)/rA:21nCCCCCCCNCOCCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.55414
Area:500.643
Solvation:-2.96195
Coulombic:-40.573
Bond Count [?]
All:22
Single:14
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:282.337
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.23
LogP (Chemaxon):2.52

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