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Chemical ID: 4519253
Chemical ID:
4519253
Name [?]:
4-chloro-N-[(2,6-dichlorophenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
c1cc(c(c(c1)Cl)C=NNC(=O)CNC(=O)c2ccc(cc2)Cl)Cl
InChi [?]:
InChI=1/C16H12Cl3N3O2/c17-11-6-4-10(5-7-11)16(24)20-9-15(23)22-21-8-12-13(18)2-1-3-14(12)19/h1-8H,9H2,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,22,19,21,8,13,17,20,4,3,5,11,15,23,24,7,14,9,10,12,16/E:(2,3)(4,5)(6,7)(13,14)(18,19)/rA:24nCCCCCCClCNNCOCNCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s4;w8;s9;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12Cl3N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7827 |
Area: | 590.337 |
Solvation: | -3.97568 |
Coulombic: | -42.2047 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 384.644 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.03 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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