Chemical ID: 6552186

CC(C)c1ccc(cc1)C=NNC(=O)CCNC(=O)c2ccccc2Cl
Chemical ID:
6552186
Name [?]:
2-chloro-N-[2-[(4-isopropylphenyl)methyleneaminocarbamoyl]ethyl]benzamide
SMILES [?]:
CC(C)c1ccc(cc1)C=NNC(=O)CCNC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C20H22ClN3O2/c1-14(2)16-9-7-15(8-10-16)13-23-24-19(25)11-12-22-20(26)17-5-3-4-6-18(17)21/h3-10,13-14H,11-12H2,1-2H3,(H,22,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,22,23,21,24,6,8,5,9,15,16,10,2,7,4,20,25,13,18,26,17,11,12,14,19/E:(1,2)(7,8)(9,10)/rA:26nCCCCCCCCCCNNCOCCNCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;s15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22ClN3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.664
Area:619.948
Solvation:-4.83468
Coulombic:-40.8638
Bond Count [?]
All:27
Single:18
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:371.86
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.35
LogP (Chemaxon):4.06

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