Chemical ID: 6650327

Cc1cccc(c1)C(=O)NCC(=O)NN=Cc2cccc(c2)Cl
Chemical ID:
6650327
Name [?]:
N-[(3-chlorophenyl)methyleneaminocarbamoylmethyl]-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)NCC(=O)NN=Cc2cccc(c2)Cl
InChi [?]:
InChI=1/C17H16ClN3O2/c1-12-4-2-6-14(8-12)17(23)19-11-16(22)21-20-10-13-5-3-7-15(18)9-13/h2-10H,11H2,1H3,(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,19,3,18,5,20,7,22,16,11,2,17,6,21,12,8,23,10,15,14,13,9/rA:23nCCCCCCCCONCCONNCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClN3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.1349
Area:559.608
Solvation:-3.85527
Coulombic:-42.1018
Bond Count [?]
All:24
Single:15
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:329.781
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.23
LogP (Chemaxon):3.15

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