Chemical ID: 6631982

c1ccc(c(c1)C=NNC(=O)CNC(=O)c2ccccc2Cl)Br
Chemical ID:
6631982
Name [?]:
N-[(2-bromophenyl)methyleneaminocarbamoylmethyl]-2-chloro-benzamide
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)CNC(=O)c2ccccc2Cl)Br
InChi [?]:
InChI=1/C16H13BrClN3O2/c17-13-7-3-1-5-11(13)9-20-21-15(22)10-19-16(23)12-6-2-4-8-14(12)18/h1-9H,10H2,(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,18,2,19,6,17,3,20,7,12,5,16,4,21,10,14,23,22,13,8,9,11,15/rA:23nCCCCCCCNNCOCNCOCCCCCCClBr/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13BrClN3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.95949
Area:553.707
Solvation:-3.88319
Coulombic:-41.935
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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