Chemical ID: 6652034

c1ccc(cc1)Oc2cccc(c2)C=NNC(=O)CNC(=O)c3cccc(c3)Cl
Chemical ID:
6652034
Name [?]:
3-chloro-N-[(3-phenoxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2)C=NNC(=O)CNC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C22H18ClN3O3/c23-18-8-5-7-17(13-18)22(28)24-15-21(27)26-25-14-16-6-4-11-20(12-16)29-19-9-2-1-3-10-19/h1-14H,15H2,(H,24,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,25,11,24,26,3,5,9,13,28,14,19,12,23,27,4,8,17,21,29,20,15,16,18,22,7/E:(2,3)(9,10)/rA:29nCCCCCCOCCCCCCCNNCOCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;w14;s15;s16;d17;s17;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18ClN3O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.496
Area:656.855
Solvation:-4.92538
Coulombic:-50.2466
Bond Count [?]
All:31
Single:19
Double:12
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:407.849
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.27
LogP (Chemaxon):4.11

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