Chemical ID: 7494002

CC(C(=O)Nc1ccc(cc1)OCc2ccccc2)Oc3ccc(cc3)Cl
Chemical ID:
7494002
Name [?]:
N-(4-benzyloxyphenyl)-2-(4-chlorophenoxy)-propanamide
SMILES [?]:
CC(C(=O)Nc1ccc(cc1)OCc2ccccc2)Oc3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H20ClNO3/c1-16(27-21-11-7-18(23)8-12-21)22(25)24-19-9-13-20(14-10-19)26-15-17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,23,25,7,11,22,26,8,10,13,2,14,24,6,9,21,3,27,5,4,12,20/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27cCCCONCCCCCCOCCCCCCCOCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;d15;s16;d17;d14s18;s2;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20ClNO3
All Atoms:47
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.5494
Area:626.564
Solvation:-5.11467
Coulombic:-38.8199
Bond Count [?]
All:29
Single:19
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.852
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.45
LogP (Chemaxon):5.46

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