Chemical ID: 6843407

Cc1cc(ccc1NC(=O)COc2ccc(cc2)C(=O)NCc3ccccc3)Cl
Chemical ID:
6843407
Name [?]:
N-benzyl-4-[(4-chloro-2-methyl-phenyl)carbamoylmethoxy]benzamide
SMILES [?]:
Cc1cc(ccc1NC(=O)COc2ccc(cc2)C(=O)NCc3ccccc3)Cl
InChi [?]:
InChI=1/C23H21ClN2O3/c1-16-13-19(24)9-12-21(16)26-22(27)15-29-20-10-7-18(8-11-20)23(28)25-14-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,25,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,24,28,15,17,5,14,18,6,3,22,11,2,23,16,4,13,7,9,19,29,21,8,10,20,12/E:(3,4)(5,6)(7,8)(10,11)/rA:29nCCCCCCCNCOCOCCCCCCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21ClN2O3
All Atoms:50
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.6297
Area:666.682
Solvation:-5.03732
Coulombic:-52.0416
Bond Count [?]
All:31
Single:20
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:408.877
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.64
LogP (Chemaxon):3.89

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