Chemical ID: 6631396

COc1cccc(c1)C=NNC(=O)CNC(=O)c2ccc(cc2)Cl
Chemical ID:
6631396
Name [?]:
4-chloro-N-[(3-methoxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
COc1cccc(c1)C=NNC(=O)CNC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H16ClN3O3/c1-24-15-4-2-3-12(9-15)10-20-21-16(22)11-19-17(23)13-5-7-14(18)8-6-13/h2-10H,11H2,1H3,(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,19,23,20,22,8,9,14,7,18,21,3,12,16,24,15,10,11,13,17,2/E:(5,6)(7,8)/rA:24nCOCCCCCCCNNCOCNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClN3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.26902
Area:578.175
Solvation:-5.18535
Coulombic:-48.437
Bond Count [?]
All:25
Single:16
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:345.78
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.7
LogP (Chemaxon):2.43

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