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Chemical ID: 6631982
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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