Chemical ID: 5587585

c1ccc(c(c1)C(=O)NCC(=O)NN=Cc2cccc(c2)Br)Cl
Chemical ID:
5587585
Name [?]:
N-[(3-bromophenyl)methyleneaminocarbamoylmethyl]-2-chloro-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCC(=O)NN=Cc2cccc(c2)Br)Cl
InChi [?]:
InChI=1/C16H13BrClN3O2/c17-12-5-3-4-11(8-12)9-20-21-15(22)10-19-16(23)13-6-1-2-7-14(13)18/h1-9H,10H2,(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,19,6,3,21,15,10,16,20,5,4,11,7,22,23,9,14,13,12,8/rA:23nCCCCCCCONCCONNCCCCCCCBrCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13BrClN3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.90567
Area:557.303
Solvation:-4.02692
Coulombic:-41.6296
Bond Count [?]
All:24
Single:15
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:394.65
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.59
LogP (Chemaxon):3.48

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